methyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate

C23H30N2O5S — CID 58967469

IUPACmethyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate
SMILESCOC(=O)C(CC1CCCCC1)n1cnc2cc(S(=O)(=O)C3CCCC3)ccc2c1=O
InChIInChI=1S/C23H30N2O5S/c1-30-23(27)21(13-16-7-3-2-4-8-16)25-15-24-20-14-18(11-12-19(20)22(25)26)31(28,29)17-9-5-6-10-17/h11-12,14-17,21H,2-10,13H2,1H3
InChIKeyUPRSHZVEMYZWOT-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.80
Rot. Bonds6

About methyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate

methyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate (PubChem CID 58967469) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is methyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate
PubChem CID58967469
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Namemethyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate
SMILESCOC(=O)C(CC1CCCCC1)n1cnc2cc(S(=O)(=O)C3CCCC3)ccc2c1=O
InChIInChI=1S/C23H30N2O5S/c1-30-23(27)21(13-16-7-3-2-4-8-16)25-15-24-20-14-18(11-12-19(20)22(25)26)31(28,29)17-9-5-6-10-17/h11-12,14-17,21H,2-10,13H2,1H3
InChIKeyUPRSHZVEMYZWOT-UHFFFAOYSA-N
XLogP3.80
TPSA95.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate 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

N-(5-chloro-2-pyridinyl)-3-cyclohexyl-2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)propanamide
CID 24744219
methyl 6-[4-cyclohexyl-3-(7-methylsulfonyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxylate
CID 123347575
7-cyclopentylsulfonyl-3-[4-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]quinazolin-4-one
CID 123234551
methyl 6-[3-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)-2-oxo-4-(oxolan-2-yl)butyl]pyridine-3-carboxylate
CID 123594392
methyl (2S)-3-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoate
CID 59411175
3-[1-[(5-carbamoyl-2-pyridinyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-N-cyclopropyl-4-oxoquinazoline-7-carboxamide
CID 57461531
methyl 3-cyclopentyl-2-(4-methylsulfonylimidazol-1-yl)propanoate
CID 67314595
(2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 24745490
6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide
CID 57461512
3-[4-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-3-oxobutan-2-yl]-7-(2-cyclopentylacetyl)quinazolin-4-one
CID 123897932
6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide
CID 123521465
6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide
CID 24962519

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate?
The IUPAC name of methyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate (CID 58967469) is methyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate.
What is the SMILES notation for methyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate?
The canonical SMILES for methyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate is COC(=O)C(CC1CCCCC1)n1cnc2cc(S(=O)(=O)C3CCCC3)ccc2c1=O.
What is the InChIKey of methyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate?
The InChIKey is UPRSHZVEMYZWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-30-23(27)21(13-16-7-3-2-4-8-16)25-15-24-20-14-18(11-12-19(20)22(25)26)31(28,29)17-9-5-6-10-17/h11-12,14-17,21H,2-10,13H2,1H3.
What are the key properties of methyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate?
methyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate has a molecular weight of 446.57 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoate is sourced from PubChem (CID 58967469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).