2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid

C17H21NO3 — CID 103977977

IUPAC2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCc1cccc2c1N(C(=O)C1CCCC1C(=O)O)CCC2
InChIInChI=1S/C17H21NO3/c1-11-5-2-6-12-7-4-10-18(15(11)12)16(19)13-8-3-9-14(13)17(20)21/h2,5-6,13-14H,3-4,7-10H2,1H3,(H,20,21)
InChIKeyBQDOFHRPRHGMAM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.78
Rot. Bonds2

About 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid

2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 103977977) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID103977977
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCc1cccc2c1N(C(=O)C1CCCC1C(=O)O)CCC2
InChIInChI=1S/C17H21NO3/c1-11-5-2-6-12-7-4-10-18(15(11)12)16(19)13-8-3-9-14(13)17(20)21/h2,5-6,13-14H,3-4,7-10H2,1H3,(H,20,21)
InChIKeyBQDOFHRPRHGMAM-UHFFFAOYSA-N
XLogP2.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976101
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897677
(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 55480235
(2-chlorofuran-3-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106685630
(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 55481052
2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116677326
6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 24900640
2,3-dihydro-1,4-benzodioxin-5-yl-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60596592
1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 51289186
(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61290980

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid (CID 103977977) is 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid is Cc1cccc2c1N(C(=O)C1CCCC1C(=O)O)CCC2.
What is the InChIKey of 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is BQDOFHRPRHGMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-5-2-6-12-7-4-10-18(15(11)12)16(19)13-8-3-9-14(13)17(20)21/h2,5-6,13-14H,3-4,7-10H2,1H3,(H,20,21).
What are the key properties of 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid?
2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103977977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).