3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one

C15H13ClN4O — CID 170551427

IUPAC3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one
SMILESCNc1c(N)c(=O)n(-c2cccnc2)c2cc(Cl)ccc12
InChIInChI=1S/C15H13ClN4O/c1-18-14-11-5-4-9(16)7-12(11)20(15(21)13(14)17)10-3-2-6-19-8-10/h2-8,18H,17H2,1H3
InChIKeyXVCAIWQSNLZEHD-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.66
Rot. Bonds2

About 3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one

3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one (PubChem CID 170551427) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one.

Molecular Properties

Compound Name3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one
PubChem CID170551427
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one
SMILESCNc1c(N)c(=O)n(-c2cccnc2)c2cc(Cl)ccc12
InChIInChI=1S/C15H13ClN4O/c1-18-14-11-5-4-9(16)7-12(11)20(15(21)13(14)17)10-3-2-6-19-8-10/h2-8,18H,17H2,1H3
InChIKeyXVCAIWQSNLZEHD-UHFFFAOYSA-N
XLogP2.66
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one
CID 172525205
7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one
CID 171514511
7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one
CID 141070390
methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207153
4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 175490444
6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one
CID 83805249
2,4-diamino-6-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propylamino]pyrimidine-5-carbonitrile
CID 155223185
2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one
CID 134576389
2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 46135084
ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)indole-1-carboxylate
CID 18367787
8-bromo-2,6-dipyridin-3-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 132600748
7-chloro-5-fluoro-4-(prop-2-ynylamino)-1-pyridin-3-ylquinazolin-2-one
CID 170271099

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one?
The IUPAC name of 3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one (CID 170551427) is 3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one.
What is the SMILES notation for 3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one?
The canonical SMILES for 3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one is CNc1c(N)c(=O)n(-c2cccnc2)c2cc(Cl)ccc12.
What is the InChIKey of 3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one?
The InChIKey is XVCAIWQSNLZEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-18-14-11-5-4-9(16)7-12(11)20(15(21)13(14)17)10-3-2-6-19-8-10/h2-8,18H,17H2,1H3.
What are the key properties of 3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one?
3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one has a molecular weight of 300.75 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one is sourced from PubChem (CID 170551427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).