3-Methyl-4-quinolinol - CAS 64965-46-4
Catalog: |
BB032601 |
Product Name: |
3-Methyl-4-quinolinol |
CAS: |
64965-46-4 |
Synonyms: |
3-methyl-1H-quinolin-4-one; 3-methyl-1H-quinolin-4-one |
IUPAC Name: | 3-methyl-1H-quinolin-4-one |
Description: | 3-Methyl-4-quinolinol (CAS# 64965-46-4 ) is a useful research chemical. |
Molecular Weight: | 159.18 |
Molecular Formula: | C10H9NO |
Canonical SMILES: | CC1=CNC2=CC=CC=C2C1=O |
InChI: | InChI=1S/C10H9NO/c1-7-6-11-9-5-3-2-4-8(9)10(7)12/h2-6H,1H3,(H,11,12) |
InChI Key: | MEBYZSAQFUZJEQ-UHFFFAOYSA-N |
LogP: | 1.83650 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021115038-A1 | Malic enzyme inhibitors | 20191017 |
US-2020140459-A1 | Heterocyclic compounds as bet inhibitors | 20181030 |
WO-2020092638-A1 | Heterocyclic compounds as bet inhibitors | 20181030 |
CN-113226322-A | Heterocyclic compounds as BET inhibitors | 20181030 |
EP-3873474-A1 | Heterocyclic compounds as bet inhibitors | 20181030 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.068413911 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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