4-N,4-N-dimethyl-2-N-[4-[2-(2-phenyl-1H-indol-3-yl)ethylamino]cyclohexyl]quinoline-2,4-diamine

C33H37N5 — CID 11432092

IUPAC4-N,4-N-dimethyl-2-N-[4-[2-(2-phenyl-1H-indol-3-yl)ethylamino]cyclohexyl]quinoline-2,4-diamine
SMILESCN(C)c1cc(NC2CCC(NCCc3c(-c4ccccc4)[nH]c4ccccc34)CC2)nc2ccccc12
InChIInChI=1S/C33H37N5/c1-38(2)31-22-32(36-30-15-9-7-13-28(30)31)35-25-18-16-24(17-19-25)34-21-20-27-26-12-6-8-14-29(26)37-33(27)23-10-4-3-5-11-23/h3-15,22,24-25,34,37H,16-21H2,1-2H3,(H,35,36)
InChIKeyMJHIJISPYJAEPH-UHFFFAOYSA-N
MW503.69 g/mol
LogP7.00
Rot. Bonds8

About 4-N,4-N-dimethyl-2-N-[4-[2-(2-phenyl-1H-indol-3-yl)ethylamino]cyclohexyl]quinoline-2,4-diamine

4-N,4-N-dimethyl-2-N-[4-[2-(2-phenyl-1H-indol-3-yl)ethylamino]cyclohexyl]quinoline-2,4-diamine (PubChem CID 11432092) has the molecular formula C33H37N5 and a molecular weight of 503.69 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[4-[2-(2-phenyl-1H-indol-3-yl)ethylamino]cyclohexyl]quinoline-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[4-[2-(2-phenyl-1H-indol-3-yl)ethylamino]cyclohexyl]quinoline-2,4-diamine
PubChem CID11432092
Molecular FormulaC33H37N5
Molecular Weight503.69 g/mol
Exact Mass503.30
IUPAC Name4-N,4-N-dimethyl-2-N-[4-[2-(2-phenyl-1H-indol-3-yl)ethylamino]cyclohexyl]quinoline-2,4-diamine
SMILESCN(C)c1cc(NC2CCC(NCCc3c(-c4ccccc4)[nH]c4ccccc34)CC2)nc2ccccc12
InChIInChI=1S/C33H37N5/c1-38(2)31-22-32(36-30-15-9-7-13-28(30)31)35-25-18-16-24(17-19-25)34-21-20-27-26-12-6-8-14-29(26)37-33(27)23-10-4-3-5-11-23/h3-15,22,24-25,34,37H,16-21H2,1-2H3,(H,35,36)
InChIKeyMJHIJISPYJAEPH-UHFFFAOYSA-N
XLogP7.00
TPSA55.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 57.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-N,4-N-dimethyl-2-N-[4-[2-(2-phenyl-1H-indol-3-yl)ethylamino]cyclohexyl]quinoline-2,4-diamine with MolForge

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Related Compounds

1-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-1-naphthalen-1-ylthiourea
CID 174504043
2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide
CID 23026580
1-(2,6-diethylphenyl)-1-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]urea
CID 174488871
1-[2-(aminomethyl)-3-chlorophenyl]-1-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]urea
CID 174489697
1-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-1-[(2-methylphenyl)methyl]urea
CID 174489550
1-[(2-chlorophenyl)methyl]-1-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]urea
CID 175246729
1-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-3-(2,4,6-tribromophenyl)thiourea
CID 87995760
4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine
CID 91320744
4-N,4-N-dimethyl-2-N-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-2,4-diamine
CID 15986533
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
CID 59920990
1-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-1-[2-(trifluoromethyl)phenyl]urea
CID 174489684
N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-3-methyl-4-nitrobenzamide
CID 11282288

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[4-[2-(2-phenyl-1H-indol-3-yl)ethylamino]cyclohexyl]quinoline-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-[4-[2-(2-phenyl-1H-indol-3-yl)ethylamino]cyclohexyl]quinoline-2,4-diamine (CID 11432092) is 4-N,4-N-dimethyl-2-N-[4-[2-(2-phenyl-1H-indol-3-yl)ethylamino]cyclohexyl]quinoline-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[4-[2-(2-phenyl-1H-indol-3-yl)ethylamino]cyclohexyl]quinoline-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[4-[2-(2-phenyl-1H-indol-3-yl)ethylamino]cyclohexyl]quinoline-2,4-diamine is CN(C)c1cc(NC2CCC(NCCc3c(-c4ccccc4)[nH]c4ccccc34)CC2)nc2ccccc12.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[4-[2-(2-phenyl-1H-indol-3-yl)ethylamino]cyclohexyl]quinoline-2,4-diamine?
The InChIKey is MJHIJISPYJAEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N5/c1-38(2)31-22-32(36-30-15-9-7-13-28(30)31)35-25-18-16-24(17-19-25)34-21-20-27-26-12-6-8-14-29(26)37-33(27)23-10-4-3-5-11-23/h3-15,22,24-25,34,37H,16-21H2,1-2H3,(H,35,36).
What are the key properties of 4-N,4-N-dimethyl-2-N-[4-[2-(2-phenyl-1H-indol-3-yl)ethylamino]cyclohexyl]quinoline-2,4-diamine?
4-N,4-N-dimethyl-2-N-[4-[2-(2-phenyl-1H-indol-3-yl)ethylamino]cyclohexyl]quinoline-2,4-diamine has a molecular weight of 503.69 g/mol, XLogP of 7.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-[4-[2-(2-phenyl-1H-indol-3-yl)ethylamino]cyclohexyl]quinoline-2,4-diamine is sourced from PubChem (CID 11432092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).