7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide

C19H17N5O3 — CID 122714938

IUPAC7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
SMILESCOc1ccc2c(=O)c(C(=O)N[C@@H](C)c3nnc4ccccn34)c[nH]c2c1
InChIInChI=1S/C19H17N5O3/c1-11(18-23-22-16-5-3-4-8-24(16)18)21-19(26)14-10-20-15-9-12(27-2)6-7-13(15)17(14)25/h3-11H,1-2H3,(H,20,25)(H,21,26)/t11-/m0/s1
InChIKeySWAHIZLDVWGLPW-NSHDSACASA-N
MW363.38 g/mol
LogP2.07
Rot. Bonds4

About 7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide

7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide (PubChem CID 122714938) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
PubChem CID122714938
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
SMILESCOc1ccc2c(=O)c(C(=O)N[C@@H](C)c3nnc4ccccn34)c[nH]c2c1
InChIInChI=1S/C19H17N5O3/c1-11(18-23-22-16-5-3-4-8-24(16)18)21-19(26)14-10-20-15-9-12(27-2)6-7-13(15)17(14)25/h3-11H,1-2H3,(H,20,25)(H,21,26)/t11-/m0/s1
InChIKeySWAHIZLDVWGLPW-NSHDSACASA-N
XLogP2.07
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

6-chloro-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
CID 91823513
6-methoxy-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-1H-quinoline-3-carboxamide
CID 91638761
8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
CID 124896589
1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide
CID 96543572
2-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyridine-4-carboxamide
CID 103762817
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-1-carboxamide
CID 47013032
4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 47013078
2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 134030653
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 42954364
3-(3,4-dimethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 75357118
1-[(2-bromo-5-methoxyphenyl)methyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 47066663
1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide
CID 112799090

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide (CID 122714938) is 7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide is COc1ccc2c(=O)c(C(=O)N[C@@H](C)c3nnc4ccccn34)c[nH]c2c1.
What is the InChIKey of 7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide?
The InChIKey is SWAHIZLDVWGLPW-NSHDSACASA-N. The full InChI is InChI=1S/C19H17N5O3/c1-11(18-23-22-16-5-3-4-8-24(16)18)21-19(26)14-10-20-15-9-12(27-2)6-7-13(15)17(14)25/h3-11H,1-2H3,(H,20,25)(H,21,26)/t11-/m0/s1.
What are the key properties of 7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide?
7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 122714938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).