4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide

C27H26N4O2 — CID 43027483

IUPAC4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C27H26N4O2/c1-19-28-23-10-4-3-9-22(23)27(33)31(19)21-15-13-20(14-16-21)26(32)29-24-11-5-6-12-25(24)30-17-7-2-8-18-30/h3-6,9-16H,2,7-8,17-18H2,1H3,(H,29,32)
InChIKeyMLLFESYLJUVNLN-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.94
Rot. Bonds4

About 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide

4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide (PubChem CID 43027483) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide
PubChem CID43027483
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C27H26N4O2/c1-19-28-23-10-4-3-9-22(23)27(33)31(19)21-15-13-20(14-16-21)26(32)29-24-11-5-6-12-25(24)30-17-7-2-8-18-30/h3-6,9-16H,2,7-8,17-18H2,1H3,(H,29,32)
InChIKeyMLLFESYLJUVNLN-UHFFFAOYSA-N
XLogP4.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide
CID 9399217
2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one
CID 17471641
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46692737
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 86948677
N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46809727
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46579082
methyl 3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiophene-2-carboxylate
CID 36670505
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 39777242
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide (CID 43027483) is 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1.
What is the InChIKey of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide?
The InChIKey is MLLFESYLJUVNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-19-28-23-10-4-3-9-22(23)27(33)31(19)21-15-13-20(14-16-21)26(32)29-24-11-5-6-12-25(24)30-17-7-2-8-18-30/h3-6,9-16H,2,7-8,17-18H2,1H3,(H,29,32).
What are the key properties of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide?
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide has a molecular weight of 438.53 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 43027483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).