4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine

C24H25ClN4 — CID 10237752

IUPAC4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine
SMILESClc1ccc2c(NC3CCC(NCc4ccc5cc[nH]c5c4)CC3)ccnc2c1
InChIInChI=1S/C24H25ClN4/c25-18-3-8-21-22(10-12-27-24(21)14-18)29-20-6-4-19(5-7-20)28-15-16-1-2-17-9-11-26-23(17)13-16/h1-3,8-14,19-20,26,28H,4-7,15H2,(H,27,29)
InChIKeyWDFTWAKJMXWAHW-UHFFFAOYSA-N
MW404.95 g/mol
LogP5.88
Rot. Bonds5

About 4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine

4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 10237752) has the molecular formula C24H25ClN4 and a molecular weight of 404.95 g/mol. Its IUPAC name is 4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine
PubChem CID10237752
Molecular FormulaC24H25ClN4
Molecular Weight404.95 g/mol
Exact Mass404.18
IUPAC Name4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine
SMILESClc1ccc2c(NC3CCC(NCc4ccc5cc[nH]c5c4)CC3)ccnc2c1
InChIInChI=1S/C24H25ClN4/c25-18-3-8-21-22(10-12-27-24(21)14-18)29-20-6-4-19(5-7-20)28-15-16-1-2-17-9-11-26-23(17)13-16/h1-3,8-14,19-20,26,28H,4-7,15H2,(H,27,29)
InChIKeyWDFTWAKJMXWAHW-UHFFFAOYSA-N
XLogP5.88
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.95
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine with MolForge

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Related Compounds

cis-(1R,3S)-1-N-[(4-chlorophenyl)methyl]-3-N-(7-chloroquinolin-4-yl)cyclopentane-1,3-diamine;dihydrochloride
CID 70199639
4-N-(7-chloroquinolin-4-yl)-1-N-[(4-nitrophenyl)methyl]cyclohexane-1,4-diamine;dihydrochloride
CID 70203482
4-N-(7-chloroquinolin-4-yl)-1-N-[[4-(diethylamino)phenyl]methyl]cyclohexane-1,4-diamine;trihydrochloride
CID 70199593
4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 69198675
4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine
CID 137206101
4-N-(7-chloroquinolin-4-yl)-1-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 70199577
N-(azepan-4-yl)-7-chloroquinolin-4-amine
CID 107173682
7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 67618697
trans-(1S,2S)-1-N-benzyl-2-N-(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine
CID 11660608
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide
CID 22641656
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072
2-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]pyridine-4-carboxamide
CID 22641834

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine (CID 10237752) is 4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine is Clc1ccc2c(NC3CCC(NCc4ccc5cc[nH]c5c4)CC3)ccnc2c1.
What is the InChIKey of 4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is WDFTWAKJMXWAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4/c25-18-3-8-21-22(10-12-27-24(21)14-18)29-20-6-4-19(5-7-20)28-15-16-1-2-17-9-11-26-23(17)13-16/h1-3,8-14,19-20,26,28H,4-7,15H2,(H,27,29).
What are the key properties of 4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine?
4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 404.95 g/mol, XLogP of 5.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 10237752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).