N-carbamoyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide

C15H16N4O3S — CID 4804162

IUPACN-carbamoyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide
SMILESC=CCn1c(SC(C)C(=O)NC(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C15H16N4O3S/c1-3-8-19-13(21)10-6-4-5-7-11(10)17-15(19)23-9(2)12(20)18-14(16)22/h3-7,9H,1,8H2,2H3,(H3,16,18,20,22)
InChIKeyCOOUECKAEYPAGV-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.26
Rot. Bonds5

About N-carbamoyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide

N-carbamoyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide (PubChem CID 4804162) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is N-carbamoyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide
PubChem CID4804162
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC NameN-carbamoyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide
SMILESC=CCn1c(SC(C)C(=O)NC(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C15H16N4O3S/c1-3-8-19-13(21)10-6-4-5-7-11(10)17-15(19)23-9(2)12(20)18-14(16)22/h3-7,9H,1,8H2,2H3,(H3,16,18,20,22)
InChIKeyCOOUECKAEYPAGV-UHFFFAOYSA-N
XLogP1.26
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-carbamoyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide (CID 4804162) is N-carbamoyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-carbamoyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-carbamoyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide is C=CCn1c(SC(C)C(=O)NC(N)=O)nc2ccccc2c1=O.
What is the InChIKey of N-carbamoyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide?
The InChIKey is COOUECKAEYPAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-3-8-19-13(21)10-6-4-5-7-11(10)17-15(19)23-9(2)12(20)18-14(16)22/h3-7,9H,1,8H2,2H3,(H3,16,18,20,22).
What are the key properties of N-carbamoyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide?
N-carbamoyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide has a molecular weight of 332.39 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 4804162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).