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

C23H25N3O2 — CID 38906313

IUPAC3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one
SMILESCC[C@H]1CCCN(C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)C1
InChIInChI=1S/C23H25N3O2/c1-3-17-7-6-14-25(15-17)22(27)18-10-12-19(13-11-18)26-16(2)24-21-9-5-4-8-20(21)23(26)28/h4-5,8-13,17H,3,6-7,14-15H2,1-2H3/t17-/m0/s1
InChIKeyCYTVZIUNOHXTJN-KRWDZBQOSA-N
MW375.47 g/mol
LogP3.96
Rot. Bonds3

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

3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one (PubChem CID 38906313) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one
PubChem CID38906313
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one
SMILESCC[C@H]1CCCN(C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)C1
InChIInChI=1S/C23H25N3O2/c1-3-17-7-6-14-25(15-17)22(27)18-10-12-19(13-11-18)26-16(2)24-21-9-5-4-8-20(21)23(26)28/h4-5,8-13,17H,3,6-7,14-15H2,1-2H3/t17-/m0/s1
InChIKeyCYTVZIUNOHXTJN-KRWDZBQOSA-N
XLogP3.96
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one
CID 17471641
3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
CID 126769930
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
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one
CID 32646472
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 86948677
[4-(2-methylbenzimidazol-1-yl)phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24896761
3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane
CID 162117435
3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
CID 165362442
2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one (CID 38906313) is 3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one is CC[C@H]1CCCN(C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)C1.
What is the InChIKey of 3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one?
The InChIKey is CYTVZIUNOHXTJN-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-17-7-6-14-25(15-17)22(27)18-10-12-19(13-11-18)26-16(2)24-21-9-5-4-8-20(21)23(26)28/h4-5,8-13,17H,3,6-7,14-15H2,1-2H3/t17-/m0/s1.
What are the key properties of 3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one?
3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one has a molecular weight of 375.47 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 38906313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).