2-amino-3-cyclopropylquinoline-6-carboxylic acid

C13H12N2O2 — CID 171618620

IUPAC2-amino-3-cyclopropylquinoline-6-carboxylic acid
SMILESNc1nc2ccc(C(=O)O)cc2cc1C1CC1
InChIInChI=1S/C13H12N2O2/c14-12-10(7-1-2-7)6-9-5-8(13(16)17)3-4-11(9)15-12/h3-7H,1-2H2,(H2,14,15)(H,16,17)
InChIKeyQTKMRPIITIBKDK-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.39
Rot. Bonds2

About 2-amino-3-cyclopropylquinoline-6-carboxylic acid

2-amino-3-cyclopropylquinoline-6-carboxylic acid (PubChem CID 171618620) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-amino-3-cyclopropylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-cyclopropylquinoline-6-carboxylic acid
PubChem CID171618620
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-amino-3-cyclopropylquinoline-6-carboxylic acid
SMILESNc1nc2ccc(C(=O)O)cc2cc1C1CC1
InChIInChI=1S/C13H12N2O2/c14-12-10(7-1-2-7)6-9-5-8(13(16)17)3-4-11(9)15-12/h3-7H,1-2H2,(H2,14,15)(H,16,17)
InChIKeyQTKMRPIITIBKDK-UHFFFAOYSA-N
XLogP2.39
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethylquinoline-3-carboxylic acid
CID 3159812
2-(Piperidin-1-yl)quinoline-4-carboxylic acid
CID 230593
2-Methyl-3-quinolinecarboxylic acid
CID 1481999
2-Cyclopropylquinoline-4-carboxylic acid
CID 275785
2,6-Dimethyl-4-quinolinecarboxylic acid
CID 787722
Ethyl 2-aminoquinoline-3-carboxylate
CID 283477
2-Methylquinoline-6-carboxylic acid
CID 604483
4-(4-Quinazolinylamino)benzoic acid hydrochloride
CID 2788197
4-[(4-Phenylquinazolin-2-yl)amino]benzoic acid
CID 776448
2-Ethylquinoline-3-carboxylic acid
CID 17933414
3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinoline-6-carboxylic acid;dihydrochloride
CID 68828739
3,5-Dimethyl-4-[(2-phenylquinoline-4-carbonyl)amino]benzoic acid
CID 118174952

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclopropylquinoline-6-carboxylic acid?
The IUPAC name of 2-amino-3-cyclopropylquinoline-6-carboxylic acid (CID 171618620) is 2-amino-3-cyclopropylquinoline-6-carboxylic acid.
What is the SMILES notation for 2-amino-3-cyclopropylquinoline-6-carboxylic acid?
The canonical SMILES for 2-amino-3-cyclopropylquinoline-6-carboxylic acid is Nc1nc2ccc(C(=O)O)cc2cc1C1CC1.
What is the InChIKey of 2-amino-3-cyclopropylquinoline-6-carboxylic acid?
The InChIKey is QTKMRPIITIBKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-12-10(7-1-2-7)6-9-5-8(13(16)17)3-4-11(9)15-12/h3-7H,1-2H2,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-3-cyclopropylquinoline-6-carboxylic acid?
2-amino-3-cyclopropylquinoline-6-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclopropylquinoline-6-carboxylic acid is sourced from PubChem (CID 171618620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).