4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline

C18H12Cl2N2 — CID 10639883

IUPAC4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline
SMILESClc1ccc(-c2nc(Cl)c3c(n2)-c2ccccc2CC3)cc1
InChIInChI=1S/C18H12Cl2N2/c19-13-8-5-12(6-9-13)18-21-16-14-4-2-1-3-11(14)7-10-15(16)17(20)22-18/h1-6,8-9H,7,10H2
InChIKeyJWAZDGDMDWGPEG-UHFFFAOYSA-N
MW327.21 g/mol
LogP5.22
Rot. Bonds1

About 4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline

4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline (PubChem CID 10639883) has the molecular formula C18H12Cl2N2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline
PubChem CID10639883
Molecular FormulaC18H12Cl2N2
Molecular Weight327.21 g/mol
Exact Mass326.04
IUPAC Name4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline
SMILESClc1ccc(-c2nc(Cl)c3c(n2)-c2ccccc2CC3)cc1
InChIInChI=1S/C18H12Cl2N2/c19-13-8-5-12(6-9-13)18-21-16-14-4-2-1-3-11(14)7-10-15(16)17(20)22-18/h1-6,8-9H,7,10H2
InChIKeyJWAZDGDMDWGPEG-UHFFFAOYSA-N
XLogP5.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.21
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline (CID 10639883) is 4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline is Clc1ccc(-c2nc(Cl)c3c(n2)-c2ccccc2CC3)cc1.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline?
The InChIKey is JWAZDGDMDWGPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2/c19-13-8-5-12(6-9-13)18-21-16-14-4-2-1-3-11(14)7-10-15(16)17(20)22-18/h1-6,8-9H,7,10H2.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline?
4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline has a molecular weight of 327.21 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline is sourced from PubChem (CID 10639883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).