3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one

C21H21N3O3 — CID 126769930

IUPAC3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C21H21N3O3/c1-14-22-19-5-3-2-4-18(19)21(27)24(14)16-8-6-15(7-9-16)20(26)23-12-10-17(25)11-13-23/h2-9,17,25H,10-13H2,1H3
InChIKeyVTHXOLHUGZMQTM-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.29
Rot. Bonds2

About 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one

3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one (PubChem CID 126769930) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
PubChem CID126769930
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C21H21N3O3/c1-14-22-19-5-3-2-4-18(19)21(27)24(14)16-8-6-15(7-9-16)20(26)23-12-10-17(25)11-13-23/h2-9,17,25H,10-13H2,1H3
InChIKeyVTHXOLHUGZMQTM-UHFFFAOYSA-N
XLogP2.29
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one
CID 17471641
3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one
CID 126787810
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
2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one
CID 32646472
3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane
CID 162117435
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
tert-butyl 4-[4-(2-methyl-4-oxoquinazolin-3-yl)phenoxy]piperidine-1-carboxylate
CID 23151302
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 86948677
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46579082

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one (CID 126769930) is 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCC(O)CC2)cc1.
What is the InChIKey of 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one?
The InChIKey is VTHXOLHUGZMQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-22-19-5-3-2-4-18(19)21(27)24(14)16-8-6-15(7-9-16)20(26)23-12-10-17(25)11-13-23/h2-9,17,25H,10-13H2,1H3.
What are the key properties of 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one?
3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one has a molecular weight of 363.42 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 126769930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).