3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one

C22H23N3O2 — CID 96581445

IUPAC3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one
SMILESCc1cccc([C@H]2CCCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)C2)c1
InChIInChI=1S/C22H23N3O2/c1-15-5-3-6-16(11-15)18-7-4-10-25(13-18)21(26)17-8-9-19-20(12-17)23-14-24(2)22(19)27/h3,5-6,8-9,11-12,14,18H,4,7,10,13H2,1-2H3/t18-/m0/s1
InChIKeyQPRBMVUVRSPWPH-SFHVURJKSA-N
MW361.45 g/mol
LogP3.26
Rot. Bonds2

About 3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one

3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one (PubChem CID 96581445) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one
PubChem CID96581445
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one
SMILESCc1cccc([C@H]2CCCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)C2)c1
InChIInChI=1S/C22H23N3O2/c1-15-5-3-6-16(11-15)18-7-4-10-25(13-18)21(26)17-8-9-19-20(12-17)23-14-24(2)22(19)27/h3,5-6,8-9,11-12,14,18H,4,7,10,13H2,1-2H3/t18-/m0/s1
InChIKeyQPRBMVUVRSPWPH-SFHVURJKSA-N
XLogP3.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 56702148
7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 56878661
(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70777670
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 97127410
3-[(3S)-1-(quinoxaline-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97209819
6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one
CID 125439162
7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one
CID 138382545
[3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 70767661
2-methyl-6-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]pyran-4-one
CID 99994685
2-methyl-5-[1-(3-methylbenzoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one
CID 90541151
(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 83733082

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one?
The IUPAC name of 3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one (CID 96581445) is 3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one?
The canonical SMILES for 3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one is Cc1cccc([C@H]2CCCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)C2)c1.
What is the InChIKey of 3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one?
The InChIKey is QPRBMVUVRSPWPH-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-5-3-6-16(11-15)18-7-4-10-25(13-18)21(26)17-8-9-19-20(12-17)23-14-24(2)22(19)27/h3,5-6,8-9,11-12,14,18H,4,7,10,13H2,1-2H3/t18-/m0/s1.
What are the key properties of 3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one?
3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one has a molecular weight of 361.45 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one is sourced from PubChem (CID 96581445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).