N-carbamoyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

C13H14N4O3S — CID 3910843

IUPACN-carbamoyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCC(Sc1nc2ccccc2c(=O)n1C)C(=O)NC(N)=O
InChIInChI=1S/C13H14N4O3S/c1-7(10(18)16-12(14)20)21-13-15-9-6-4-3-5-8(9)11(19)17(13)2/h3-7H,1-2H3,(H3,14,16,18,20)
InChIKeySZCXBQFJHUCSMX-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.61
Rot. Bonds3

About N-carbamoyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

N-carbamoyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (PubChem CID 3910843) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-carbamoyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
PubChem CID3910843
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-carbamoyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCC(Sc1nc2ccccc2c(=O)n1C)C(=O)NC(N)=O
InChIInChI=1S/C13H14N4O3S/c1-7(10(18)16-12(14)20)21-13-15-9-6-4-3-5-8(9)11(19)17(13)2/h3-7H,1-2H3,(H3,14,16,18,20)
InChIKeySZCXBQFJHUCSMX-UHFFFAOYSA-N
XLogP0.61
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-carbamoyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (CID 3910843) is N-carbamoyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-carbamoyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-carbamoyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is CC(Sc1nc2ccccc2c(=O)n1C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The InChIKey is SZCXBQFJHUCSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-7(10(18)16-12(14)20)21-13-15-9-6-4-3-5-8(9)11(19)17(13)2/h3-7H,1-2H3,(H3,14,16,18,20).
What are the key properties of N-carbamoyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
N-carbamoyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide has a molecular weight of 306.35 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 3910843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).