3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one

C23H25N3O2S — CID 7702486

IUPAC3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
SMILESCCn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C23H25N3O2S/c1-2-26-21(27)18-13-7-8-14-19(18)24-23(26)29-20(17-11-5-3-6-12-17)22(28)25-15-9-4-10-16-25/h3,5-8,11-14,20H,2,4,9-10,15-16H2,1H3/t20-/m1/s1
InChIKeyBRARZNNOPGPBCB-HXUWFJFHSA-N
MW407.54 g/mol
LogP4.26
Rot. Bonds5

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

3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one (PubChem CID 7702486) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
PubChem CID7702486
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
SMILESCCn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C23H25N3O2S/c1-2-26-21(27)18-13-7-8-14-19(18)24-23(26)29-20(17-11-5-3-6-12-17)22(28)25-15-9-4-10-16-25/h3,5-8,11-14,20H,2,4,9-10,15-16H2,1H3/t20-/m1/s1
InChIKeyBRARZNNOPGPBCB-HXUWFJFHSA-N
XLogP4.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-2-[(1R)-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-[[(2S)-oxolan-2-yl]methyl]-2-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanylquinazolin-4-one
CID 40816991
3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
CID 8981712
6-bromo-3-ethyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
CID 43031860
6-chloro-3-ethyl-2-[(1S)-2-oxo-1-phenyl-2-piperazin-1-ylethyl]sulfanylquinazolin-4-one
CID 177055989
2-[1,2-bis(4-methylphenyl)-2-oxoethyl]sulfanyl-3-ethylquinazolin-4-one
CID 18286837
2-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 27716286
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
methyl 2-[2-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 9309890
6,7-dichloro-3-ethyl-2-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-phenylethyl]sulfanylquinazolin-4-one
CID 177054414
3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
CID 46661639

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one?
The IUPAC name of 3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one (CID 7702486) is 3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one is CCn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one?
The InChIKey is BRARZNNOPGPBCB-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-2-26-21(27)18-13-7-8-14-19(18)24-23(26)29-20(17-11-5-3-6-12-17)22(28)25-15-9-4-10-16-25/h3,5-8,11-14,20H,2,4,9-10,15-16H2,1H3/t20-/m1/s1.
What are the key properties of 3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one?
3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one has a molecular weight of 407.54 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one is sourced from PubChem (CID 7702486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).