N-carbamoyl-3-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide

C17H22N4O3S — CID 4786450

IUPACN-carbamoyl-3-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide
SMILESCCCn1c(SC(C(=O)NC(N)=O)C(C)C)nc2ccccc2c1=O
InChIInChI=1S/C17H22N4O3S/c1-4-9-21-15(23)11-7-5-6-8-12(11)19-17(21)25-13(10(2)3)14(22)20-16(18)24/h5-8,10,13H,4,9H2,1-3H3,(H3,18,20,22,24)
InChIKeyWWOJDHZRXBGVMT-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.12
Rot. Bonds6

About N-carbamoyl-3-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide

N-carbamoyl-3-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide (PubChem CID 4786450) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-carbamoyl-3-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-carbamoyl-3-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide
PubChem CID4786450
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-carbamoyl-3-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide
SMILESCCCn1c(SC(C(=O)NC(N)=O)C(C)C)nc2ccccc2c1=O
InChIInChI=1S/C17H22N4O3S/c1-4-9-21-15(23)11-7-5-6-8-12(11)19-17(21)25-13(10(2)3)14(22)20-16(18)24/h5-8,10,13H,4,9H2,1-3H3,(H3,18,20,22,24)
InChIKeyWWOJDHZRXBGVMT-UHFFFAOYSA-N
XLogP2.12
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide?
The IUPAC name of N-carbamoyl-3-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide (CID 4786450) is N-carbamoyl-3-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide.
What is the SMILES notation for N-carbamoyl-3-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide?
The canonical SMILES for N-carbamoyl-3-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide is CCCn1c(SC(C(=O)NC(N)=O)C(C)C)nc2ccccc2c1=O.
What is the InChIKey of N-carbamoyl-3-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide?
The InChIKey is WWOJDHZRXBGVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-4-9-21-15(23)11-7-5-6-8-12(11)19-17(21)25-13(10(2)3)14(22)20-16(18)24/h5-8,10,13H,4,9H2,1-3H3,(H3,18,20,22,24).
What are the key properties of N-carbamoyl-3-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide?
N-carbamoyl-3-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide has a molecular weight of 362.46 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide is sourced from PubChem (CID 4786450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).