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

C16H20N2O3 — CID 63714163

IUPAC1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCC1CNCC1C(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H20N2O3/c1-10-8-17-9-13(10)15(19)18-6-2-3-11-7-12(16(20)21)4-5-14(11)18/h4-5,7,10,13,17H,2-3,6,8-9H2,1H3,(H,20,21)
InChIKeyCSHCKTXEAALCIC-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.52
Rot. Bonds2

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

1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 63714163) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID63714163
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCC1CNCC1C(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H20N2O3/c1-10-8-17-9-13(10)15(19)18-6-2-3-11-7-12(16(20)21)4-5-14(11)18/h4-5,7,10,13,17H,2-3,6,8-9H2,1H3,(H,20,21)
InChIKeyCSHCKTXEAALCIC-UHFFFAOYSA-N
XLogP1.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325464
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157417
1-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157415
(6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 103822175
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
2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120974954
1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 61157412
trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid
CID 125119924
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 63714163) is 1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid is CC1CNCC1C(=O)N1CCCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is CSHCKTXEAALCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-8-17-9-13(10)15(19)18-6-2-3-11-7-12(16(20)21)4-5-14(11)18/h4-5,7,10,13,17H,2-3,6,8-9H2,1H3,(H,20,21).
What are the key properties of 1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 63714163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).