(4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate

C17H18ClNO2 — CID 63841179

IUPAC(4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate
SMILESCC1CCC(OC(=O)c2cc(Cl)c3ccccc3n2)CC1
InChIInChI=1S/C17H18ClNO2/c1-11-6-8-12(9-7-11)21-17(20)16-10-14(18)13-4-2-3-5-15(13)19-16/h2-5,10-12H,6-9H2,1H3
InChIKeyHYZCJOVVJOPLPB-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.62
Rot. Bonds2

About (4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate

(4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate (PubChem CID 63841179) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate.

Molecular Properties

Compound Name(4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate
PubChem CID63841179
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name(4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate
SMILESCC1CCC(OC(=O)c2cc(Cl)c3ccccc3n2)CC1
InChIInChI=1S/C17H18ClNO2/c1-11-6-8-12(9-7-11)21-17(20)16-10-14(18)13-4-2-3-5-15(13)19-16/h2-5,10-12H,6-9H2,1H3
InChIKeyHYZCJOVVJOPLPB-UHFFFAOYSA-N
XLogP4.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylcyclohexyl) 2-chloroquinoline-4-carboxylate
CID 60642151
cyclopropylmethyl 4-chloroquinoline-2-carboxylate
CID 63839858
tert-butyl 4-chloroquinoline-2-carboxylate
CID 63839515
4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide
CID 114545564
(4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone
CID 167993187
cyclopentylmethyl 4-chloroquinoline-2-carboxylate
CID 66323375
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
(4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 63376375
4-methylpentan-2-yl 4-chloroquinoline-2-carboxylate
CID 63839691
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
CID 63376122
(4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957022
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide
CID 82736181

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate?
The IUPAC name of (4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate (CID 63841179) is (4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate.
What is the SMILES notation for (4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate?
The canonical SMILES for (4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate is CC1CCC(OC(=O)c2cc(Cl)c3ccccc3n2)CC1.
What is the InChIKey of (4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate?
The InChIKey is HYZCJOVVJOPLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11-6-8-12(9-7-11)21-17(20)16-10-14(18)13-4-2-3-5-15(13)19-16/h2-5,10-12H,6-9H2,1H3.
What are the key properties of (4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate?
(4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate has a molecular weight of 303.79 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate is sourced from PubChem (CID 63841179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).