4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide

C19H14ClN3O — CID 1483126

IUPAC4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide
SMILESO=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O/c20-15-9-7-13(8-10-15)18(24)23-19-21-11-14-6-5-12-3-1-2-4-16(12)17(14)22-19/h1-4,7-11H,5-6H2,(H,21,22,23,24)
InChIKeyLQUOMFWYFCWNQK-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.15
Rot. Bonds2

About 4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide

4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide (PubChem CID 1483126) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide
PubChem CID1483126
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide
SMILESO=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O/c20-15-9-7-13(8-10-15)18(24)23-19-21-11-14-6-5-12-3-1-2-4-16(12)17(14)22-19/h1-4,7-11H,5-6H2,(H,21,22,23,24)
InChIKeyLQUOMFWYFCWNQK-UHFFFAOYSA-N
XLogP4.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide (CID 1483126) is 4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide is O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide?
The InChIKey is LQUOMFWYFCWNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-15-9-7-13(8-10-15)18(24)23-19-21-11-14-6-5-12-3-1-2-4-16(12)17(14)22-19/h1-4,7-11H,5-6H2,(H,21,22,23,24).
What are the key properties of 4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide?
4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide has a molecular weight of 335.79 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide is sourced from PubChem (CID 1483126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).