N-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine

C32H32Cl2N4 — CID 118350173

IUPACN-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESClc1ccc(C2Cc3cnc(Nc4ccc(CCNC5CCCCC5)cc4)nc3-c3ccccc32)cc1Cl
InChIInChI=1S/C32H32Cl2N4/c33-29-15-12-22(19-30(29)34)28-18-23-20-36-32(38-31(23)27-9-5-4-8-26(27)28)37-25-13-10-21(11-14-25)16-17-35-24-6-2-1-3-7-24/h4-5,8-15,19-20,24,28,35H,1-3,6-7,16-18H2,(H,36,37,38)
InChIKeyOZPIDERZQNQBAN-UHFFFAOYSA-N
MW543.54 g/mol
LogP8.35
Rot. Bonds7

About N-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine

N-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 118350173) has the molecular formula C32H32Cl2N4 and a molecular weight of 543.54 g/mol. Its IUPAC name is N-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound NameN-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID118350173
Molecular FormulaC32H32Cl2N4
Molecular Weight543.54 g/mol
Exact Mass542.20
IUPAC NameN-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESClc1ccc(C2Cc3cnc(Nc4ccc(CCNC5CCCCC5)cc4)nc3-c3ccccc32)cc1Cl
InChIInChI=1S/C32H32Cl2N4/c33-29-15-12-22(19-30(29)34)28-18-23-20-36-32(38-31(23)27-9-5-4-8-26(27)28)37-25-13-10-21(11-14-25)16-17-35-24-6-2-1-3-7-24/h4-5,8-15,19-20,24,28,35H,1-3,6-7,16-18H2,(H,36,37,38)
InChIKeyOZPIDERZQNQBAN-UHFFFAOYSA-N
XLogP8.35
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.54
LogP ≤ 58.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine with MolForge

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Related Compounds

N-[4-[2-[butyl(methyl)amino]ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;hydrochloride
CID 67427727
6-(4-fluorophenyl)-N-[4-(2-piperidin-1-ylethyl)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 59490136
(6S)-6-(3-bromophenyl)-N-[4-(2-piperidin-1-ylethyl)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;hydrochloride
CID 67426790
2-[4-[[6-(2,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]amino]phenyl]ethanol
CID 59490179
6-(3,4-difluorophenyl)-N-[4-[2-[ethyl(methyl)amino]ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 91478049
2-piperidin-1-ylethyl N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]carbamate
CID 59489933
(6S)-N-[4-[2-[butyl(methyl)amino]ethyl]phenyl]-6-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;hydrochloride
CID 67427968
2-(dimethylamino)ethyl N-[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]carbamate;2-[4-[[6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]amino]phenyl]ethyl methanesulfonate;2-[4-[[6-(4-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]amino]phenyl]ethyl methanesulfonate
CID 158504826
6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline
CID 3344455
6-(2-chlorophenyl)-N-cyclohexyl-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 59490227
(6S)-6-(2-chlorophenyl)-N-[4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 59490144
1-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-3-(pyridin-3-ylmethyl)urea
CID 46830928

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of N-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 118350173) is N-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for N-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for N-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine is Clc1ccc(C2Cc3cnc(Nc4ccc(CCNC5CCCCC5)cc4)nc3-c3ccccc32)cc1Cl.
What is the InChIKey of N-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is OZPIDERZQNQBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32Cl2N4/c33-29-15-12-22(19-30(29)34)28-18-23-20-36-32(38-31(23)27-9-5-4-8-26(27)28)37-25-13-10-21(11-14-25)16-17-35-24-6-2-1-3-7-24/h4-5,8-15,19-20,24,28,35H,1-3,6-7,16-18H2,(H,36,37,38).
What are the key properties of N-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
N-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 543.54 g/mol, XLogP of 8.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 118350173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).