N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

C20H27N3O2S — CID 3620871

IUPACN-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESCC(C)Cn1c(SC(C)C(=O)NC2CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C20H27N3O2S/c1-13(2)12-23-19(25)16-10-6-7-11-17(16)22-20(23)26-14(3)18(24)21-15-8-4-5-9-15/h6-7,10-11,13-15H,4-5,8-9,12H2,1-3H3,(H,21,24)
InChIKeyQQUGQOLJOGJPDV-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.59
Rot. Bonds6

About N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (PubChem CID 3620871) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
PubChem CID3620871
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESCC(C)Cn1c(SC(C)C(=O)NC2CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C20H27N3O2S/c1-13(2)12-23-19(25)16-10-6-7-11-17(16)22-20(23)26-14(3)18(24)21-15-8-4-5-9-15/h6-7,10-11,13-15H,4-5,8-9,12H2,1-3H3,(H,21,24)
InChIKeyQQUGQOLJOGJPDV-UHFFFAOYSA-N
XLogP3.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876016
N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18777264
(2S)-N-cyclopentyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 9329750
methyl 2-[2-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 7647638
(2S)-N-cyclopropyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876048
N-cyclopentyl-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3918372
(2R)-N-cycloheptyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8578602
(2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7246705
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclohexylcarbamoyl)propanamide
CID 3442015
(2S)-N-cyclopentyl-2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7501251
(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide
CID 40681888

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The IUPAC name of N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (CID 3620871) is N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The canonical SMILES for N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is CC(C)Cn1c(SC(C)C(=O)NC2CCCC2)nc2ccccc2c1=O.
What is the InChIKey of N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The InChIKey is QQUGQOLJOGJPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-13(2)12-23-19(25)16-10-6-7-11-17(16)22-20(23)26-14(3)18(24)21-15-8-4-5-9-15/h6-7,10-11,13-15H,4-5,8-9,12H2,1-3H3,(H,21,24).
What are the key properties of N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide has a molecular weight of 373.52 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 3620871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).