methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate

C17H17NO2 — CID 67961081

IUPACmethyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nccc(C3=CCCCC3)c2c1
InChIInChI=1S/C17H17NO2/c1-20-17(19)13-7-8-16-15(11-13)14(9-10-18-16)12-5-3-2-4-6-12/h5,7-11H,2-4,6H2,1H3
InChIKeyNCRCLFXKDQSCRY-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.98
Rot. Bonds2

About methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate

methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate (PubChem CID 67961081) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate
PubChem CID67961081
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namemethyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nccc(C3=CCCCC3)c2c1
InChIInChI=1S/C17H17NO2/c1-20-17(19)13-7-8-16-15(11-13)14(9-10-18-16)12-5-3-2-4-6-12/h5,7-11H,2-4,6H2,1H3
InChIKeyNCRCLFXKDQSCRY-UHFFFAOYSA-N
XLogP3.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate
CID 67961149
methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate
CID 67961180
methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate
CID 166570461
methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate
CID 67961079
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate
CID 67960959
methyl 4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]quinoline-6-carboxylate
CID 155961103
methyl 7-acetylquinoline-4-carboxylate
CID 170539761
methyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate
CID 4736758
methyl 4-(furan-2-yl)quinoline-7-carboxylate
CID 71742561
methyl 3-[[5-(cyclohexen-1-yl)-3-pyridinyl]sulfonyl]benzoate
CID 166808697
methyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate
CID 139001927

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate?
The IUPAC name of methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate (CID 67961081) is methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate.
What is the SMILES notation for methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate?
The canonical SMILES for methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate is COC(=O)c1ccc2nccc(C3=CCCCC3)c2c1.
What is the InChIKey of methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate?
The InChIKey is NCRCLFXKDQSCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-17(19)13-7-8-16-15(11-13)14(9-10-18-16)12-5-3-2-4-6-12/h5,7-11H,2-4,6H2,1H3.
What are the key properties of methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate?
methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate is sourced from PubChem (CID 67961081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).