2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one

C21H21N3O2 — CID 17471641

IUPAC2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H21N3O2/c1-15-22-19-8-4-3-7-18(19)21(26)24(15)17-11-9-16(10-12-17)20(25)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-14H2,1H3
InChIKeyOSNMKQWLRFGOKP-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.32
Rot. Bonds2

About 2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one

2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one (PubChem CID 17471641) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one
PubChem CID17471641
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H21N3O2/c1-15-22-19-8-4-3-7-18(19)21(26)24(15)17-11-9-16(10-12-17)20(25)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-14H2,1H3
InChIKeyOSNMKQWLRFGOKP-UHFFFAOYSA-N
XLogP3.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
CID 126769930
3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
CID 126783335
3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one
CID 38906313
3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one
CID 126787810
2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one
CID 32646472
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 86948677
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 43027483
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylquinazolin-4-one
CID 127257164
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
CID 11581919

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one (CID 17471641) is 2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one?
The InChIKey is OSNMKQWLRFGOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-22-19-8-4-3-7-18(19)21(26)24(15)17-11-9-16(10-12-17)20(25)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-14H2,1H3.
What are the key properties of 2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one?
2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one has a molecular weight of 347.42 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one is sourced from PubChem (CID 17471641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).