N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

C18H20N4O3S — CID 46666399

IUPACN-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCC(Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C18H20N4O3S/c1-10(15(23)21-17(25)19-11-6-7-11)26-18-20-14-5-3-2-4-13(14)16(24)22(18)12-8-9-12/h2-5,10-12H,6-9H2,1H3,(H2,19,21,23,25)
InChIKeyYVRJCVBASOZKEU-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.20
Rot. Bonds5

About N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (PubChem CID 46666399) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
PubChem CID46666399
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCC(Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C18H20N4O3S/c1-10(15(23)21-17(25)19-11-6-7-11)26-18-20-14-5-3-2-4-13(14)16(24)22(18)12-8-9-12/h2-5,10-12H,6-9H2,1H3,(H2,19,21,23,25)
InChIKeyYVRJCVBASOZKEU-UHFFFAOYSA-N
XLogP2.20
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 8981728
(2R)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8980651
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8980654
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclohexylcarbamoyl)propanamide
CID 3442015
4-[[(2R)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]amino]benzamide
CID 8980730
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 42896909
(2S)-N-cyclopropyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876048
(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 25491438
(2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 42450236
3-cyclopropyl-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 46611264
3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 8981095

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (CID 46666399) is N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is CC(Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)NC(=O)NC1CC1.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The InChIKey is YVRJCVBASOZKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-10(15(23)21-17(25)19-11-6-7-11)26-18-20-14-5-3-2-4-13(14)16(24)22(18)12-8-9-12/h2-5,10-12H,6-9H2,1H3,(H2,19,21,23,25).
What are the key properties of N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide has a molecular weight of 372.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 46666399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).