1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

C16H20N2O3 — CID 61197187

IUPAC1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCC(NC(=O)N1CCCc2c(C(=O)O)cccc21)C1CC1
InChIInChI=1S/C16H20N2O3/c1-10(11-7-8-11)17-16(21)18-9-3-5-12-13(15(19)20)4-2-6-14(12)18/h2,4,6,10-11H,3,5,7-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyVZTCBKFELREJCR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.65
Rot. Bonds3

About 1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 61197187) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID61197187
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCC(NC(=O)N1CCCc2c(C(=O)O)cccc21)C1CC1
InChIInChI=1S/C16H20N2O3/c1-10(11-7-8-11)17-16(21)18-9-3-5-12-13(15(19)20)4-2-6-14(12)18/h2,4,6,10-11H,3,5,7-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyVZTCBKFELREJCR-UHFFFAOYSA-N
XLogP2.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61161658
1-(cyclobutylmethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61199124
1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382581
2-(1-cyclopropylethylcarbamoyl)benzoic acid
CID 43533392
1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382534
1-(2-propan-2-ylsulfanylacetyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60831334
1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61208432
1-[2-[(2-aminoacetyl)amino]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61162245
1-[(2S,3S)-2-amino-3-methylpentanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61159737
1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60858133
1-(5-oxopyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60832350
1-(3-methoxy-3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 103018301

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 61197187) is 1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is CC(NC(=O)N1CCCc2c(C(=O)O)cccc21)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is VZTCBKFELREJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(11-7-8-11)17-16(21)18-9-3-5-12-13(15(19)20)4-2-6-14(12)18/h2,4,6,10-11H,3,5,7-9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 61197187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).