4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine

C21H24ClN3 — CID 137206101

IUPAC4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine
SMILESClc1ccc2c(NC3CCC(NCC4=CCC=C4)CC3)ccnc2c1
InChIInChI=1S/C21H24ClN3/c22-16-5-10-19-20(11-12-23-21(19)13-16)25-18-8-6-17(7-9-18)24-14-15-3-1-2-4-15/h1,3-5,10-13,17-18,24H,2,6-9,14H2,(H,23,25)
InChIKeyDSEQQLCRNKMLAV-UHFFFAOYSA-N
MW353.90 g/mol
LogP5.09
Rot. Bonds5

About 4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine

4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 137206101) has the molecular formula C21H24ClN3 and a molecular weight of 353.90 g/mol. Its IUPAC name is 4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine
PubChem CID137206101
Molecular FormulaC21H24ClN3
Molecular Weight353.90 g/mol
Exact Mass353.17
IUPAC Name4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine
SMILESClc1ccc2c(NC3CCC(NCC4=CCC=C4)CC3)ccnc2c1
InChIInChI=1S/C21H24ClN3/c22-16-5-10-19-20(11-12-23-21(19)13-16)25-18-8-6-17(7-9-18)24-14-15-3-1-2-4-15/h1,3-5,10-13,17-18,24H,2,6-9,14H2,(H,23,25)
InChIKeyDSEQQLCRNKMLAV-UHFFFAOYSA-N
XLogP5.09
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.90
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine with MolForge

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Related Compounds

4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 69198675
4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine
CID 10237752
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-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 70199577
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072
N-(azepan-4-yl)-7-chloroquinolin-4-amine
CID 107173682
4-N-(7-chloroquinolin-4-yl)-1-N-[2-(2,3-dimethoxyphenyl)ethyl]cyclohexane-1,4-diamine;dihydrochloride
CID 70203319
7-chloro-N-[(3R)-1-methylpyrrolidin-3-yl]quinolin-4-amine
CID 57199203
7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 67618697
7-chloro-N-(3-methylsulfanylcyclopentyl)quinolin-4-amine
CID 103704139

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine (CID 137206101) is 4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine is Clc1ccc2c(NC3CCC(NCC4=CCC=C4)CC3)ccnc2c1.
What is the InChIKey of 4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is DSEQQLCRNKMLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3/c22-16-5-10-19-20(11-12-23-21(19)13-16)25-18-8-6-17(7-9-18)24-14-15-3-1-2-4-15/h1,3-5,10-13,17-18,24H,2,6-9,14H2,(H,23,25).
What are the key properties of 4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine?
4-N-(7-chloroquinolin-4-yl)-1-N-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 353.90 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 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-(cyclopenta-1,4-dien-1-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 137206101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).