2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid

C18H25NO2 — CID 63530964

IUPAC2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid
SMILESCC1Cc2ccccc2N(C2CCCCCC2C(=O)O)C1
InChIInChI=1S/C18H25NO2/c1-13-11-14-7-5-6-9-16(14)19(12-13)17-10-4-2-3-8-15(17)18(20)21/h5-7,9,13,15,17H,2-4,8,10-12H2,1H3,(H,20,21)
InChIKeyREDPMZSIJAQXSF-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.72
Rot. Bonds2

About 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid

2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid (PubChem CID 63530964) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid
PubChem CID63530964
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid
SMILESCC1Cc2ccccc2N(C2CCCCCC2C(=O)O)C1
InChIInChI=1S/C18H25NO2/c1-13-11-14-7-5-6-9-16(14)19(12-13)17-10-4-2-3-8-15(17)18(20)21/h5-7,9,13,15,17H,2-4,8,10-12H2,1H3,(H,20,21)
InChIKeyREDPMZSIJAQXSF-UHFFFAOYSA-N
XLogP3.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid
CID 63068563
[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine
CID 80999104
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one
CID 114762215
N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 116508561
2-(3,4-dihydro-1H-isoquinolin-2-yl)cycloheptane-1-carboxylic acid
CID 63067209
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone
CID 63522655
cyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine
CID 55225246
2-(1-oxo-3,4-dihydroisoquinolin-2-yl)cycloheptane-1-carboxylic acid
CID 83091156
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
3-methyl-1-piperidin-3-yl-3,4-dihydro-2H-quinoline
CID 63524612
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6-methylpiperidin-2-yl)methanone
CID 63526013
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-enoic acid
CID 76999886

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid?
The IUPAC name of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid (CID 63530964) is 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid is CC1Cc2ccccc2N(C2CCCCCC2C(=O)O)C1.
What is the InChIKey of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid?
The InChIKey is REDPMZSIJAQXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-11-14-7-5-6-9-16(14)19(12-13)17-10-4-2-3-8-15(17)18(20)21/h5-7,9,13,15,17H,2-4,8,10-12H2,1H3,(H,20,21).
What are the key properties of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid?
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid has a molecular weight of 287.40 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 63530964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).