3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one

C24H32N4O3 — CID 92565221

IUPAC3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CCC(=O)N1CCC[C@H](C(=O)N2CCCCCC2)C1
InChIInChI=1S/C24H32N4O3/c1-18-25-21-11-5-4-10-20(21)24(31)28(18)16-12-22(29)27-15-8-9-19(17-27)23(30)26-13-6-2-3-7-14-26/h4-5,10-11,19H,2-3,6-9,12-17H2,1H3/t19-/m0/s1
InChIKeyWOYFWUWCPLMYNJ-IBGZPJMESA-N
MW424.55 g/mol
LogP2.74
Rot. Bonds4

About 3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one

3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one (PubChem CID 92565221) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one
PubChem CID92565221
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CCC(=O)N1CCC[C@H](C(=O)N2CCCCCC2)C1
InChIInChI=1S/C24H32N4O3/c1-18-25-21-11-5-4-10-20(21)24(31)28(18)16-12-22(29)27-15-8-9-19(17-27)23(30)26-13-6-2-3-7-14-26/h4-5,10-11,19H,2-3,6-9,12-17H2,1H3/t19-/m0/s1
InChIKeyWOYFWUWCPLMYNJ-IBGZPJMESA-N
XLogP2.74
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one
CID 95269637
(3S)-1-[4-(2-methyl-4-oxoquinazolin-3-yl)butanoyl]pyrrolidine-3-carboxamide
CID 94512727
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 96543678
3-[2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 17470334
2-methyl-3-[3-oxo-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]quinazolin-4-one
CID 37072690
1-[4-(dimethylamino)azepan-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one
CID 56907377
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 36994619
2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]acetamide
CID 52521562
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714908
3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 119488410
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413
ethyl 1-[2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate
CID 55309223

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one (CID 92565221) is 3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1CCC(=O)N1CCC[C@H](C(=O)N2CCCCCC2)C1.
What is the InChIKey of 3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one?
The InChIKey is WOYFWUWCPLMYNJ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N4O3/c1-18-25-21-11-5-4-10-20(21)24(31)28(18)16-12-22(29)27-15-8-9-19(17-27)23(30)26-13-6-2-3-7-14-26/h4-5,10-11,19H,2-3,6-9,12-17H2,1H3/t19-/m0/s1.
What are the key properties of 3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one?
3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one has a molecular weight of 424.55 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 92565221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).