6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid

C19H19N5O3 — CID 146134599

IUPAC6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCCN(c3nc4ccccc4c(=O)[nH]3)CC2)nc1
InChIInChI=1S/C19H19N5O3/c25-17-14-4-1-2-5-15(14)21-19(22-17)24-9-3-8-23(10-11-24)16-7-6-13(12-20-16)18(26)27/h1-2,4-7,12H,3,8-11H2,(H,26,27)(H,21,22,25)
InChIKeyWUKORRVHQNDBOW-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.73
Rot. Bonds3

About 6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid

6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid (PubChem CID 146134599) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
PubChem CID146134599
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCCN(c3nc4ccccc4c(=O)[nH]3)CC2)nc1
InChIInChI=1S/C19H19N5O3/c25-17-14-4-1-2-5-15(14)21-19(22-17)24-9-3-8-23(10-11-24)16-7-6-13(12-20-16)18(26)27/h1-2,4-7,12H,3,8-11H2,(H,26,27)(H,21,22,25)
InChIKeyWUKORRVHQNDBOW-UHFFFAOYSA-N
XLogP1.73
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3H-quinazolin-4-one
CID 137267488
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138543038
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 166688154
2-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138543043
2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 136923010
2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one
CID 136673956
6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 82116544
tert-butyl (2R)-2-methyl-4-(4-oxo-3H-quinazolin-2-yl)piperazine-1-carboxylate
CID 137267489

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid (CID 146134599) is 6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CCCN(c3nc4ccccc4c(=O)[nH]3)CC2)nc1.
What is the InChIKey of 6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid?
The InChIKey is WUKORRVHQNDBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-17-14-4-1-2-5-15(14)21-19(22-17)24-9-3-8-23(10-11-24)16-7-6-13(12-20-16)18(26)27/h1-2,4-7,12H,3,8-11H2,(H,26,27)(H,21,22,25).
What are the key properties of 6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid?
6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid has a molecular weight of 365.39 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 146134599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).