2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid

C14H14N2O2 — CID 43265115

IUPAC2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid
SMILESCN(c1nc2ccccc2cc1C(=O)O)C1CC1
InChIInChI=1S/C14H14N2O2/c1-16(10-6-7-10)13-11(14(17)18)8-9-4-2-3-5-12(9)15-13/h2-5,8,10H,6-7H2,1H3,(H,17,18)
InChIKeySVAJEHUMHRBHFU-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.53
Rot. Bonds3

About 2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid

2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid (PubChem CID 43265115) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid
PubChem CID43265115
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid
SMILESCN(c1nc2ccccc2cc1C(=O)O)C1CC1
InChIInChI=1S/C14H14N2O2/c1-16(10-6-7-10)13-11(14(17)18)8-9-4-2-3-5-12(9)15-13/h2-5,8,10H,6-7H2,1H3,(H,17,18)
InChIKeySVAJEHUMHRBHFU-UHFFFAOYSA-N
XLogP2.53
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid
CID 61441562
2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid
CID 43269746
2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 63535310
2-[methyl(2-propan-2-yloxyethyl)amino]quinoline-3-carboxylic acid
CID 81036849
2-[2-cyanoethyl(methyl)amino]quinoline-3-carboxylic acid
CID 28952125
2-[butyl(ethyl)amino]quinoline-3-carboxylic acid
CID 28952092
6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 55107851
5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62000742
3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine
CID 43614276
4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid
CID 62406915
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylquinolin-2-amine
CID 43281662
formic acid;quinoline-2,3-dicarboxylic acid
CID 174725095

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid (CID 43265115) is 2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid is CN(c1nc2ccccc2cc1C(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid?
The InChIKey is SVAJEHUMHRBHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-16(10-6-7-10)13-11(14(17)18)8-9-4-2-3-5-12(9)15-13/h2-5,8,10H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid?
2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 43265115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).