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

C16H20N2O3 — CID 106901863

IUPAC1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCC1(C(=O)N2CC(C(=O)O)Cc3ccccc32)CCNC1
InChIInChI=1S/C16H20N2O3/c1-16(6-7-17-10-16)15(21)18-9-12(14(19)20)8-11-4-2-3-5-13(11)18/h2-5,12,17H,6-10H2,1H3,(H,19,20)
InChIKeyPKBPIKZWAVDTHA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.28
Rot. Bonds2

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

1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 106901863) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID106901863
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCC1(C(=O)N2CC(C(=O)O)Cc3ccccc32)CCNC1
InChIInChI=1S/C16H20N2O3/c1-16(6-7-17-10-16)15(21)18-9-12(14(19)20)8-11-4-2-3-5-13(11)18/h2-5,12,17H,6-10H2,1H3,(H,19,20)
InChIKeyPKBPIKZWAVDTHA-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyloxolane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902441
1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901905
[4-(2-chlorophenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63138572
(2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63132696
(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63141049
1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901890
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63141362
1-(2-methylsulfonylacetyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902475
1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902469
1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902409
2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone
CID 129465608

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 106901863) is 1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is CC1(C(=O)N2CC(C(=O)O)Cc3ccccc32)CCNC1.
What is the InChIKey of 1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is PKBPIKZWAVDTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(6-7-17-10-16)15(21)18-9-12(14(19)20)8-11-4-2-3-5-13(11)18/h2-5,12,17H,6-10H2,1H3,(H,19,20).
What are the key properties of 1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 106901863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).