2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one

C24H25N3O4 — CID 135949295

IUPAC2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C24H25N3O4/c28-18-10-8-16(9-11-18)23(30)17-12-14-27(15-13-17)22(29)7-3-6-21-25-20-5-2-1-4-19(20)24(31)26-21/h1-2,4-5,8-11,17,28H,3,6-7,12-15H2,(H,25,26,31)
InChIKeyIEOPWRCNQGYLJV-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.07
Rot. Bonds6

About 2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one

2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one (PubChem CID 135949295) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
PubChem CID135949295
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C24H25N3O4/c28-18-10-8-16(9-11-18)23(30)17-12-14-27(15-13-17)22(29)7-3-6-21-25-20-5-2-1-4-19(20)24(31)26-21/h1-2,4-5,8-11,17,28H,3,6-7,12-15H2,(H,25,26,31)
InChIKeyIEOPWRCNQGYLJV-UHFFFAOYSA-N
XLogP3.07
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136607500
2-[4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-oxobutyl]-3H-quinazolin-4-one;hydrochloride
CID 137078552
2-[4-[4-[(2E)-2-(dimethylaminomethylidene)but-3-enoyl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 137218698
methane;2-[4-[4-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one;(1-methylimidazol-2-yl)-piperidin-4-ylmethanone;4-(4-oxo-3H-quinazolin-2-yl)butanoic acid
CID 158124837
1-methyl-6-[4-[4-(4-methylbenzoyl)piperidin-1-yl]-4-oxobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136929613
N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide
CID 137278349
1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide
CID 137316079
2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 135933709
2-[4-[4-(2,1-benzoxazol-3-yl)piperazin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136628924
2-[4-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136545155
benzenecarboximidoyl 1-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperidine-4-carboximidate
CID 137083739
2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136628963

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one (CID 135949295) is 2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one is O=C(c1ccc(O)cc1)C1CCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one?
The InChIKey is IEOPWRCNQGYLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-18-10-8-16(9-11-18)23(30)17-12-14-27(15-13-17)22(29)7-3-6-21-25-20-5-2-1-4-19(20)24(31)26-21/h1-2,4-5,8-11,17,28H,3,6-7,12-15H2,(H,25,26,31).
What are the key properties of 2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one?
2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one has a molecular weight of 419.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135949295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).