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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Related Compounds

6-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 59490051
N-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 118350173
(6S)-6-(2-chlorophenyl)-N-[4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 59490144
2-[4-[[6-(2,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]amino]phenyl]ethanol
CID 59490179
2-piperidin-1-ylethyl N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]carbamate
CID 59489933
7-(2-chlorophenyl)-2-(cyclopropylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 2945963
N-[3-(2-methylpiperidin-1-yl)propyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 59489668
6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline
CID 3344455
N-[6-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 59489858
N-[3-(azepan-1-yl)propyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-diethylbutane-1,4-diamine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;N-[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;6-(3,4-dichlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 158415880
2,6-dichloro-N-cyclohexylaniline
CID 65469917
(2R)-2-[[6-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]amino]-3-(1H-indol-3-yl)propan-1-ol
CID 67541726

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).