2-Oxo-1,2-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester - CAS 5174-90-3
Catalog: |
BB027569 |
Product Name: |
2-Oxo-1,2-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester |
CAS: |
5174-90-3 |
Synonyms: |
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate |
IUPAC Name: | ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate |
Description: | 2-Oxo-1,2-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester (CAS# 5174-90-3) is a useful research chemical. |
Molecular Weight: | 218.21 |
Molecular Formula: | C11H10N2O3 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(NC1=O)N=CC=C2 |
InChI: | InChI=1S/C11H10N2O3/c1-2-16-11(15)8-6-7-4-3-5-12-9(7)13-10(8)14/h3-6H,2H2,1H3,(H,12,13,14) |
InChI Key: | PIHWQJBFCRABCQ-UHFFFAOYSA-N |
Boiling Point: | 452.9 ℃ at 760 mmHg |
Density: | 1.303 g/cm3 |
Appearance: | Solid |
MDL: | MFCD06659016 |
LogP: | 1.51210 |
Publication Number | Title | Priority Date |
CA-3069311-A1 | 5-membered and bicyclic heterocyclic amides as inhibitors of rock | 20170712 |
CN-110869363-A | 5-membered and bicyclic heterocyclic amides as ROCK inhibitors | 20170712 |
EP-3652168-A1 | 5-membered and bicyclic heterocyclic amides as inhibitors of rock | 20170712 |
KR-20200028423-A | 5-membered and bicyclic heterocyclic amides as inhibitors of ROCK | 20170712 |
TW-201908293-A | 5 members of ROCK inhibitor and bicyclic heterocyclic guanamine | 20170712 |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.06914219 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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