6-(2-chlorophenyl)-N-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-2-amine

C24H24ClN3 — CID 59490227

IUPAC6-(2-chlorophenyl)-N-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESClc1ccccc1C1Cc2cnc(NC3CCCCC3)nc2-c2ccccc21
InChIInChI=1S/C24H24ClN3/c25-22-13-7-6-11-19(22)21-14-16-15-26-24(27-17-8-2-1-3-9-17)28-23(16)20-12-5-4-10-18(20)21/h4-7,10-13,15,17,21H,1-3,8-9,14H2,(H,26,27,28)
InChIKeyXXWVLZHHCHBVSX-UHFFFAOYSA-N
MW389.93 g/mol
LogP6.23
Rot. Bonds3

About 6-(2-chlorophenyl)-N-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-2-amine

6-(2-chlorophenyl)-N-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 59490227) has the molecular formula C24H24ClN3 and a molecular weight of 389.93 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID59490227
Molecular FormulaC24H24ClN3
Molecular Weight389.93 g/mol
Exact Mass389.17
IUPAC Name6-(2-chlorophenyl)-N-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESClc1ccccc1C1Cc2cnc(NC3CCCCC3)nc2-c2ccccc21
InChIInChI=1S/C24H24ClN3/c25-22-13-7-6-11-19(22)21-14-16-15-26-24(27-17-8-2-1-3-9-17)28-23(16)20-12-5-4-10-18(20)21/h4-7,10-13,15,17,21H,1-3,8-9,14H2,(H,26,27,28)
InChIKeyXXWVLZHHCHBVSX-UHFFFAOYSA-N
XLogP6.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.93
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of 6-(2-chlorophenyl)-N-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 59490227) is 6-(2-chlorophenyl)-N-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-N-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for 6-(2-chlorophenyl)-N-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-2-amine is Clc1ccccc1C1Cc2cnc(NC3CCCCC3)nc2-c2ccccc21.
What is the InChIKey of 6-(2-chlorophenyl)-N-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is XXWVLZHHCHBVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3/c25-22-13-7-6-11-19(22)21-14-16-15-26-24(27-17-8-2-1-3-9-17)28-23(16)20-12-5-4-10-18(20)21/h4-7,10-13,15,17,21H,1-3,8-9,14H2,(H,26,27,28).
What are the key properties of 6-(2-chlorophenyl)-N-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
6-(2-chlorophenyl)-N-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 389.93 g/mol, XLogP of 6.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 59490227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).