2,5,7-Trimethylquinoline-3-carboxylic acid ethyl ester - CAS 948291-02-9
Catalog: |
BB041526 |
Product Name: |
2,5,7-Trimethylquinoline-3-carboxylic acid ethyl ester |
CAS: |
948291-02-9 |
Synonyms: |
ethyl 2,5,7-trimethylquinoline-3-carboxylate |
IUPAC Name: | ethyl 2,5,7-trimethylquinoline-3-carboxylate |
Description: | 2,5,7-Trimethylquinoline-3-carboxylic acid ethyl ester (CAS# 948291-02-9) is a useful research chemical. |
Molecular Weight: | 243.30 |
Molecular Formula: | C15H17NO2 |
Canonical SMILES: | CCOC(=O)C1=C(N=C2C=C(C=C(C2=C1)C)C)C |
InChI: | InChI=1S/C15H17NO2/c1-5-18-15(17)13-8-12-10(3)6-9(2)7-14(12)16-11(13)4/h6-8H,5H2,1-4H3 |
InChI Key: | LRPXAGBVZQSZPL-UHFFFAOYSA-N |
Boiling Point: | 345.5 ℃ at 760 mmHg |
Density: | 1.105 g/cm3 |
LogP: | 3.33670 |
Publication Number | Title | Priority Date |
AU-2011287574-A1 | N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides as inhibitors of plasma kallikrein | 20100804 |
AU-2011287574-B2 | N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides as inhibitors of plasma kallikrein | 20100804 |
CA-2806015-A1 | N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides as inhibitors of plasma kallikrein | 20100804 |
CN-103080104-A | N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides as inhibitors of plasma kallikrein | 20100804 |
EA-021359-B1 | N - ((6-AMINOPIRIDIN-3-IL) METHYL) HETEROARILKARBOXAMIDES AS KALLYCREIN INHIBITORS IN PLASMA | 20100804 |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.125928785 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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Related Functional Groups
Quinoline/Isoquinoline
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