4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzamide

C16H12ClN3O2 — CID 26965576

IUPAC4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzamide
SMILESNC(=O)c1ccc(Cn2cnc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C16H12ClN3O2/c17-12-5-6-14-13(7-12)16(22)20(9-19-14)8-10-1-3-11(4-2-10)15(18)21/h1-7,9H,8H2,(H2,18,21)
InChIKeyBBKMOLPVJBVNDZ-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.20
Rot. Bonds3

About 4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzamide

4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzamide (PubChem CID 26965576) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzamide
PubChem CID26965576
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzamide
SMILESNC(=O)c1ccc(Cn2cnc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C16H12ClN3O2/c17-12-5-6-14-13(7-12)16(22)20(9-19-14)8-10-1-3-11(4-2-10)15(18)21/h1-7,9H,8H2,(H2,18,21)
InChIKeyBBKMOLPVJBVNDZ-UHFFFAOYSA-N
XLogP2.20
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzamide?
The IUPAC name of 4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzamide (CID 26965576) is 4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzamide?
The canonical SMILES for 4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzamide is NC(=O)c1ccc(Cn2cnc3ccc(Cl)cc3c2=O)cc1.
What is the InChIKey of 4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzamide?
The InChIKey is BBKMOLPVJBVNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-12-5-6-14-13(7-12)16(22)20(9-19-14)8-10-1-3-11(4-2-10)15(18)21/h1-7,9H,8H2,(H2,18,21).
What are the key properties of 4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzamide?
4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzamide has a molecular weight of 313.74 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzamide is sourced from PubChem (CID 26965576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).