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

C19H14ClN3O — CID 2769021

IUPAC3-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide
SMILESO=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1cccc(Cl)c1
InChIInChI=1S/C19H14ClN3O/c20-15-6-3-5-13(10-15)18(24)23-19-21-11-14-9-8-12-4-1-2-7-16(12)17(14)22-19/h1-7,10-11H,8-9H2,(H,21,22,23,24)
InChIKeyWMOGAFSFMTWERV-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.15
Rot. Bonds2

About 3-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide

3-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide (PubChem CID 2769021) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 3-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide
PubChem CID2769021
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name3-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide
SMILESO=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1cccc(Cl)c1
InChIInChI=1S/C19H14ClN3O/c20-15-6-3-5-13(10-15)18(24)23-19-21-11-14-9-8-12-4-1-2-7-16(12)17(14)22-19/h1-7,10-11H,8-9H2,(H,21,22,23,24)
InChIKeyWMOGAFSFMTWERV-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide (CID 2769021) is 3-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide is O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide?
The InChIKey is WMOGAFSFMTWERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-15-6-3-5-13(10-15)18(24)23-19-21-11-14-9-8-12-4-1-2-7-16(12)17(14)22-19/h1-7,10-11H,8-9H2,(H,21,22,23,24).
What are the key properties of 3-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide?
3-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 3-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide is sourced from PubChem (CID 2769021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).