2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-3H-quinazolin-4-one

C21H21N3O3 — CID 135950066

IUPAC2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-3H-quinazolin-4-one
SMILESO=C(c1nc2ccc(O)cc2c(=O)[nH]1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H21N3O3/c25-16-6-7-18-17(13-16)20(26)23-19(22-18)21(27)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15,25H,8-12H2,(H,22,23,26)
InChIKeyAALJRNXTYNQLRG-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.72
Rot. Bonds3

About 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-3H-quinazolin-4-one

2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-3H-quinazolin-4-one (PubChem CID 135950066) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-3H-quinazolin-4-one
PubChem CID135950066
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-3H-quinazolin-4-one
SMILESO=C(c1nc2ccc(O)cc2c(=O)[nH]1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H21N3O3/c25-16-6-7-18-17(13-16)20(26)23-19(22-18)21(27)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15,25H,8-12H2,(H,22,23,26)
InChIKeyAALJRNXTYNQLRG-UHFFFAOYSA-N
XLogP2.72
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4(3H)-Quinazolinone, 3-(4-hydroxy-2-methylphenyl)-2-methyl-
CID 21143
2-(3-hydroxyphenyl)quinazolin-4(3H)-one
CID 135567246
6-hydroxy-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
CID 9883438
2-[4-(4-Fluoro-benzyl)-piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one
CID 11509163
6-hydroxy-2-[4-(4-methyl-benzyl)-piperidine-1-carbonyl]-1H-quinolin-4-one
CID 11538083
2-[4-(4-Chloro-benzyl)-piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one
CID 11567443
2-(4-Benzyl-piperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one
CID 11653435
2-{3-[4-(4-Hydroxy-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-propyl}-3H-quinazolin-4-one
CID 135495133
6-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136379629
Puniceloid A
CID 145720953
Puniceloid B
CID 145720954
Puniceloid C
CID 145720955

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-3H-quinazolin-4-one?
The IUPAC name of 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-3H-quinazolin-4-one (CID 135950066) is 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-3H-quinazolin-4-one is O=C(c1nc2ccc(O)cc2c(=O)[nH]1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-3H-quinazolin-4-one?
The InChIKey is AALJRNXTYNQLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-16-6-7-18-17(13-16)20(26)23-19(22-18)21(27)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15,25H,8-12H2,(H,22,23,26).
What are the key properties of 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-3H-quinazolin-4-one?
2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-3H-quinazolin-4-one has a molecular weight of 363.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-3H-quinazolin-4-one is sourced from PubChem (CID 135950066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).