3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)benzamide

C20H13ClN4O3 — CID 162685757

IUPAC3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)benzamide
SMILESO=C(Nc1cccc2ncn(-c3cccnc3)c(=O)c12)c1ccc(O)c(Cl)c1
InChIInChI=1S/C20H13ClN4O3/c21-14-9-12(6-7-17(14)26)19(27)24-16-5-1-4-15-18(16)20(28)25(11-23-15)13-3-2-8-22-10-13/h1-11,26H,(H,24,27)
InChIKeyLJYREAIICHQHSO-UHFFFAOYSA-N
MW392.80 g/mol
LogP3.39
Rot. Bonds3

About 3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)benzamide

3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)benzamide (PubChem CID 162685757) has the molecular formula C20H13ClN4O3 and a molecular weight of 392.80 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)benzamide
PubChem CID162685757
Molecular FormulaC20H13ClN4O3
Molecular Weight392.80 g/mol
Exact Mass392.07
IUPAC Name3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)benzamide
SMILESO=C(Nc1cccc2ncn(-c3cccnc3)c(=O)c12)c1ccc(O)c(Cl)c1
InChIInChI=1S/C20H13ClN4O3/c21-14-9-12(6-7-17(14)26)19(27)24-16-5-1-4-15-18(16)20(28)25(11-23-15)13-3-2-8-22-10-13/h1-11,26H,(H,24,27)
InChIKeyLJYREAIICHQHSO-UHFFFAOYSA-N
XLogP3.39
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.80
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-hydroxy-N-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide
CID 162685831
3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)cyclohexane-1-carboxamide
CID 169047399
5-methyl-3-pyridin-3-ylquinazolin-4-one
CID 150241032
3-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256
3-chloro-N-(2-chloro-4-hydroxyphenyl)-4-hydroxybenzamide
CID 64787162
3,5-dichloro-N-[3-[(3-cyanophenyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide
CID 163301003
3,5-dichloro-4-hydroxy-N-[3-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide
CID 163301171
5-chloro-3-pyridin-3-ylquinazolin-4-one;1-[(2S)-5-chloro-3-pyridin-3-yl-2H-quinazolin-2-yl]ethanamine
CID 160705678
N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39341853
3,5-dichloro-N-[3-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide
CID 167072074
N-(2-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64787918
3-fluoro-4-hydroxy-N-[3-[2-(2-methoxyphenyl)ethyl]-4-oxoquinazolin-5-yl]benzamide
CID 162685775

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)benzamide (CID 162685757) is 3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)benzamide is O=C(Nc1cccc2ncn(-c3cccnc3)c(=O)c12)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)benzamide?
The InChIKey is LJYREAIICHQHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O3/c21-14-9-12(6-7-17(14)26)19(27)24-16-5-1-4-15-18(16)20(28)25(11-23-15)13-3-2-8-22-10-13/h1-11,26H,(H,24,27).
What are the key properties of 3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)benzamide?
3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)benzamide has a molecular weight of 392.80 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)benzamide is sourced from PubChem (CID 162685757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).