3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one

C24H25N3O2S — CID 8981712

IUPAC3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
SMILESO=C([C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C24H25N3O2S/c28-22-19-11-5-6-12-20(19)25-24(27(22)18-13-14-18)30-21(17-9-3-1-4-10-17)23(29)26-15-7-2-8-16-26/h1,3-6,9-12,18,21H,2,7-8,13-16H2/t21-/m0/s1
InChIKeyKVUKWMQRNLHKKS-NRFANRHFSA-N
MW419.55 g/mol
LogP4.58
Rot. Bonds5

About 3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one

3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one (PubChem CID 8981712) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
PubChem CID8981712
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
SMILESO=C([C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C24H25N3O2S/c28-22-19-11-5-6-12-20(19)25-24(27(22)18-13-14-18)30-21(17-9-3-1-4-10-17)23(29)26-15-7-2-8-16-26/h1,3-6,9-12,18,21H,2,7-8,13-16H2/t21-/m0/s1
InChIKeyKVUKWMQRNLHKKS-NRFANRHFSA-N
XLogP4.58
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one
CID 24654189
3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
CID 7702486
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 51217052
3-[[(2S)-oxolan-2-yl]methyl]-2-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanylquinazolin-4-one
CID 40816991
3-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1213864
3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one
CID 11911163
3-cyclopropyl-2-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 8980460
3-cyclopropyl-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 46611264
(3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
CID 8981662
3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
CID 18199015
(2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 25334103
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one?
The IUPAC name of 3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one (CID 8981712) is 3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one is O=C([C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1)N1CCCCC1.
What is the InChIKey of 3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one?
The InChIKey is KVUKWMQRNLHKKS-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25N3O2S/c28-22-19-11-5-6-12-20(19)25-24(27(22)18-13-14-18)30-21(17-9-3-1-4-10-17)23(29)26-15-7-2-8-16-26/h1,3-6,9-12,18,21H,2,7-8,13-16H2/t21-/m0/s1.
What are the key properties of 3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one?
3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one has a molecular weight of 419.55 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one is sourced from PubChem (CID 8981712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).