1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid

C18H25NO2 — CID 106903079

IUPAC1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCCC1CCCC(N2CC(C(=O)O)Cc3ccccc32)C1
InChIInChI=1S/C18H25NO2/c1-2-13-6-5-8-16(10-13)19-12-15(18(20)21)11-14-7-3-4-9-17(14)19/h3-4,7,9,13,15-16H,2,5-6,8,10-12H2,1H3,(H,20,21)
InChIKeyYULHJANKXBNBEJ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.72
Rot. Bonds3

About 1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid

1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 106903079) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID106903079
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCCC1CCCC(N2CC(C(=O)O)Cc3ccccc32)C1
InChIInChI=1S/C18H25NO2/c1-2-13-6-5-8-16(10-13)19-12-15(18(20)21)11-14-7-3-4-9-17(14)19/h3-4,7,9,13,15-16H,2,5-6,8,10-12H2,1H3,(H,20,21)
InChIKeyYULHJANKXBNBEJ-UHFFFAOYSA-N
XLogP3.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid
CID 105455172
1-(1,1-dioxothiolan-3-yl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903025
1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902942
1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902910
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
2-(3-ethylcyclohexyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559519
ethane;(3R)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 159380558
1-[butan-2-yl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902836
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid
CID 63530964
2-(3-ethylcyclohexyl)-1-phenylethanone
CID 79428507
1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid
CID 115115180
1-sulfino-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 126480773

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 106903079) is 1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is CCC1CCCC(N2CC(C(=O)O)Cc3ccccc32)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is YULHJANKXBNBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-13-6-5-8-16(10-13)19-12-15(18(20)21)11-14-7-3-4-9-17(14)19/h3-4,7,9,13,15-16H,2,5-6,8,10-12H2,1H3,(H,20,21).
What are the key properties of 1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 287.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 106903079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).