7-chloro-4-(cyclohexylmethyl)quinoline

C16H18ClN — CID 122374976

IUPAC7-chloro-4-(cyclohexylmethyl)quinoline
SMILESClc1ccc2c(CC3CCCCC3)ccnc2c1
InChIInChI=1S/C16H18ClN/c17-14-6-7-15-13(8-9-18-16(15)11-14)10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2
InChIKeyDPMHAHNUUTWROX-UHFFFAOYSA-N
MW259.78 g/mol
LogP5.01
Rot. Bonds2

About 7-chloro-4-(cyclohexylmethyl)quinoline

7-chloro-4-(cyclohexylmethyl)quinoline (PubChem CID 122374976) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 7-chloro-4-(cyclohexylmethyl)quinoline.

Molecular Properties

Compound Name7-chloro-4-(cyclohexylmethyl)quinoline
PubChem CID122374976
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name7-chloro-4-(cyclohexylmethyl)quinoline
SMILESClc1ccc2c(CC3CCCCC3)ccnc2c1
InChIInChI=1S/C16H18ClN/c17-14-6-7-15-13(8-9-18-16(15)11-14)10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2
InChIKeyDPMHAHNUUTWROX-UHFFFAOYSA-N
XLogP5.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.78
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-N-[[3-[[(7-chloroquinolin-4-yl)amino]methyl]cyclohexyl]methyl]quinolin-4-amine
CID 54463562
5-chloro-2-(cyclohexylmethyl)aniline
CID 105481516
2-(7-chloroquinolin-4-yl)acetonitrile
CID 63203863
7-chloro-4-(2-methylpropyl)quinoline
CID 57147452
N-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine
CID 80666227
7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine
CID 64742610
4,7-dichloroquinoline
CID 6866
1-(7-chloroquinolin-4-yl)azepan-3-amine
CID 70760365
N'-(7-chloroquinolin-4-yl)-N'-cyclopentylethane-1,2-diamine
CID 62586557
7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline
CID 123684098
7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline
CID 63390489
7-chloro-N-methyl-N-(piperidin-2-ylmethyl)quinolin-4-amine
CID 106642173

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(cyclohexylmethyl)quinoline?
The IUPAC name of 7-chloro-4-(cyclohexylmethyl)quinoline (CID 122374976) is 7-chloro-4-(cyclohexylmethyl)quinoline.
What is the SMILES notation for 7-chloro-4-(cyclohexylmethyl)quinoline?
The canonical SMILES for 7-chloro-4-(cyclohexylmethyl)quinoline is Clc1ccc2c(CC3CCCCC3)ccnc2c1.
What is the InChIKey of 7-chloro-4-(cyclohexylmethyl)quinoline?
The InChIKey is DPMHAHNUUTWROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c17-14-6-7-15-13(8-9-18-16(15)11-14)10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2.
What are the key properties of 7-chloro-4-(cyclohexylmethyl)quinoline?
7-chloro-4-(cyclohexylmethyl)quinoline has a molecular weight of 259.78 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(cyclohexylmethyl)quinoline is sourced from PubChem (CID 122374976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).