2-chloro-N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide

C25H21Cl2N3O2 — CID 3188196

IUPAC2-chloro-N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide
SMILESCCCc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1cccc(Cl)c1
InChIInChI=1S/C25H21Cl2N3O2/c1-2-6-23-29-22-12-11-18(28-24(31)19-9-3-4-10-21(19)27)14-20(22)25(32)30(23)15-16-7-5-8-17(26)13-16/h3-5,7-14H,2,6,15H2,1H3,(H,28,31)
InChIKeyAFZODIMDBGLTEO-UHFFFAOYSA-N
MW466.37 g/mol
LogP5.96
Rot. Bonds6

About 2-chloro-N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide

2-chloro-N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide (PubChem CID 3188196) has the molecular formula C25H21Cl2N3O2 and a molecular weight of 466.37 g/mol. Its IUPAC name is 2-chloro-N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide
PubChem CID3188196
Molecular FormulaC25H21Cl2N3O2
Molecular Weight466.37 g/mol
Exact Mass465.10
IUPAC Name2-chloro-N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide
SMILESCCCc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1cccc(Cl)c1
InChIInChI=1S/C25H21Cl2N3O2/c1-2-6-23-29-22-12-11-18(28-24(31)19-9-3-4-10-21(19)27)14-20(22)25(32)30(23)15-16-7-5-8-17(26)13-16/h3-5,7-14H,2,6,15H2,1H3,(H,28,31)
InChIKeyAFZODIMDBGLTEO-UHFFFAOYSA-N
XLogP5.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide (CID 3188196) is 2-chloro-N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide is CCCc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1cccc(Cl)c1.
What is the InChIKey of 2-chloro-N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide?
The InChIKey is AFZODIMDBGLTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O2/c1-2-6-23-29-22-12-11-18(28-24(31)19-9-3-4-10-21(19)27)14-20(22)25(32)30(23)15-16-7-5-8-17(26)13-16/h3-5,7-14H,2,6,15H2,1H3,(H,28,31).
What are the key properties of 2-chloro-N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide?
2-chloro-N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide has a molecular weight of 466.37 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide is sourced from PubChem (CID 3188196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).