3-chloro-4-hydroxy-N-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide

C21H15ClN4O3 — CID 162685831

IUPAC3-chloro-4-hydroxy-N-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide
SMILESCn1c(-c2cccnc2)nc2cccc(NC(=O)c3ccc(O)c(Cl)c3)c2c1=O
InChIInChI=1S/C21H15ClN4O3/c1-26-19(13-4-3-9-23-11-13)24-15-5-2-6-16(18(15)21(26)29)25-20(28)12-7-8-17(27)14(22)10-12/h2-11,27H,1H3,(H,25,28)
InChIKeyMFSVNOZNWFGHLS-UHFFFAOYSA-N
MW406.83 g/mol
LogP3.61
Rot. Bonds3

About 3-chloro-4-hydroxy-N-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide

3-chloro-4-hydroxy-N-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide (PubChem CID 162685831) has the molecular formula C21H15ClN4O3 and a molecular weight of 406.83 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide
PubChem CID162685831
Molecular FormulaC21H15ClN4O3
Molecular Weight406.83 g/mol
Exact Mass406.08
IUPAC Name3-chloro-4-hydroxy-N-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide
SMILESCn1c(-c2cccnc2)nc2cccc(NC(=O)c3ccc(O)c(Cl)c3)c2c1=O
InChIInChI=1S/C21H15ClN4O3/c1-26-19(13-4-3-9-23-11-13)24-15-5-2-6-16(18(15)21(26)29)25-20(28)12-7-8-17(27)14(22)10-12/h2-11,27H,1H3,(H,25,28)
InChIKeyMFSVNOZNWFGHLS-UHFFFAOYSA-N
XLogP3.61
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-hydroxy-N-(4-oxo-3-pyridin-3-ylquinazolin-5-yl)benzamide
CID 162685757
5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one
CID 162685751
3-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256
N,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide
CID 66692352
N-(2-hydroxyphenyl)-4-pyridin-3-ylbenzamide
CID 59672983
N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide
CID 59673856
N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride
CID 110756419
3-chloro-N-(2-chloro-4-hydroxyphenyl)-4-hydroxybenzamide
CID 64787162
1-methyl-N-(2-methyl-5-pyridin-3-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 166222006
2-[(4-tert-butylbenzoyl)amino]-4-chloro-5-pyridin-3-ylbenzoic acid
CID 71307927
5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole
CID 10966745
N-(2-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64787918

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide (CID 162685831) is 3-chloro-4-hydroxy-N-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide is Cn1c(-c2cccnc2)nc2cccc(NC(=O)c3ccc(O)c(Cl)c3)c2c1=O.
What is the InChIKey of 3-chloro-4-hydroxy-N-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide?
The InChIKey is MFSVNOZNWFGHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O3/c1-26-19(13-4-3-9-23-11-13)24-15-5-2-6-16(18(15)21(26)29)25-20(28)12-7-8-17(27)14(22)10-12/h2-11,27H,1H3,(H,25,28).
What are the key properties of 3-chloro-4-hydroxy-N-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide?
3-chloro-4-hydroxy-N-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide has a molecular weight of 406.83 g/mol, XLogP of 3.61, 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-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide is sourced from PubChem (CID 162685831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).