4-(2-chlorophenyl)-N-methyl-N-[(2R)-4-oxobutan-2-yl]quinazoline-2-carboxamide

C20H18ClN3O2 — CID 156789941

IUPAC4-(2-chlorophenyl)-N-methyl-N-[(2R)-4-oxobutan-2-yl]quinazoline-2-carboxamide
SMILESC[C@H](CC=O)N(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C20H18ClN3O2/c1-13(11-12-25)24(2)20(26)19-22-17-10-6-4-8-15(17)18(23-19)14-7-3-5-9-16(14)21/h3-10,12-13H,11H2,1-2H3/t13-/m1/s1
InChIKeyJSCJFTWCKOMEAJ-CYBMUJFWSA-N
MW367.84 g/mol
LogP4.00
Rot. Bonds5

About 4-(2-chlorophenyl)-N-methyl-N-[(2R)-4-oxobutan-2-yl]quinazoline-2-carboxamide

4-(2-chlorophenyl)-N-methyl-N-[(2R)-4-oxobutan-2-yl]quinazoline-2-carboxamide (PubChem CID 156789941) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-methyl-N-[(2R)-4-oxobutan-2-yl]quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-methyl-N-[(2R)-4-oxobutan-2-yl]quinazoline-2-carboxamide
PubChem CID156789941
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name4-(2-chlorophenyl)-N-methyl-N-[(2R)-4-oxobutan-2-yl]quinazoline-2-carboxamide
SMILESC[C@H](CC=O)N(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C20H18ClN3O2/c1-13(11-12-25)24(2)20(26)19-22-17-10-6-4-8-15(17)18(23-19)14-7-3-5-9-16(14)21/h3-10,12-13H,11H2,1-2H3/t13-/m1/s1
InChIKeyJSCJFTWCKOMEAJ-CYBMUJFWSA-N
XLogP4.00
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-methyl-N-[(2R)-4-oxobutan-2-yl]quinazoline-2-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-methyl-N-[(2R)-4-oxobutan-2-yl]quinazoline-2-carboxamide (CID 156789941) is 4-(2-chlorophenyl)-N-methyl-N-[(2R)-4-oxobutan-2-yl]quinazoline-2-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-methyl-N-[(2R)-4-oxobutan-2-yl]quinazoline-2-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-methyl-N-[(2R)-4-oxobutan-2-yl]quinazoline-2-carboxamide is C[C@H](CC=O)N(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1.
What is the InChIKey of 4-(2-chlorophenyl)-N-methyl-N-[(2R)-4-oxobutan-2-yl]quinazoline-2-carboxamide?
The InChIKey is JSCJFTWCKOMEAJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-13(11-12-25)24(2)20(26)19-22-17-10-6-4-8-15(17)18(23-19)14-7-3-5-9-16(14)21/h3-10,12-13H,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-(2-chlorophenyl)-N-methyl-N-[(2R)-4-oxobutan-2-yl]quinazoline-2-carboxamide?
4-(2-chlorophenyl)-N-methyl-N-[(2R)-4-oxobutan-2-yl]quinazoline-2-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-methyl-N-[(2R)-4-oxobutan-2-yl]quinazoline-2-carboxamide is sourced from PubChem (CID 156789941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).