1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid

C15H17NO3 — CID 43325464

IUPAC1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCC1CC1C(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H17NO3/c1-9-7-12(9)14(17)16-6-2-3-10-8-11(15(18)19)4-5-13(10)16/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyNCPGVMSOHUESFQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.32
Rot. Bonds2

About 1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid

1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 43325464) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID43325464
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCC1CC1C(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H17NO3/c1-9-7-12(9)14(17)16-6-2-3-10-8-11(15(18)19)4-5-13(10)16/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyNCPGVMSOHUESFQ-UHFFFAOYSA-N
XLogP2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 63714163
2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120974954
1-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157415
trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid
CID 125119924
1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 60759910
1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737681
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157417
1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 103018179
2-bromo-1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropan-1-one
CID 82258968
1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 62638451
1-(4-aminooxolane-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 66236051
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 79750528

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 43325464) is 1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid is CC1CC1C(=O)N1CCCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is NCPGVMSOHUESFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-7-12(9)14(17)16-6-2-3-10-8-11(15(18)19)4-5-13(10)16/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,18,19).
What are the key properties of 1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 43325464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).