1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid

C16H20N2O3 — CID 106902875

IUPAC1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCC1CC1CNC(=O)N1CC(C(=O)O)Cc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-10-6-12(10)8-17-16(21)18-9-13(15(19)20)7-11-4-2-3-5-14(11)18/h2-5,10,12-13H,6-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyPRGRAGKNKQZTIB-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.12
Rot. Bonds3

About 1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid

1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 106902875) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID106902875
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCC1CC1CNC(=O)N1CC(C(=O)O)Cc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-10-6-12(10)8-17-16(21)18-9-13(15(19)20)7-11-4-2-3-5-14(11)18/h2-5,10,12-13H,6-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyPRGRAGKNKQZTIB-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902877
1-(2,2-dimethylpropylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902849
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 86768829
1-(2-methylsulfonylacetyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902475
2-hydroxy-4-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 107839949
1-[butan-2-yl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902836
N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110662911
1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902409
1-(2-butylsulfanylacetyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902458
1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901919
1-(3-propoxypropanoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902474

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 106902875) is 1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid is CC1CC1CNC(=O)N1CC(C(=O)O)Cc2ccccc21.
What is the InChIKey of 1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is PRGRAGKNKQZTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-6-12(10)8-17-16(21)18-9-13(15(19)20)7-11-4-2-3-5-14(11)18/h2-5,10,12-13H,6-9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 106902875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).