4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid

C17H20N2O2 — CID 63537181

IUPAC4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid
SMILESCC(C)CN(c1cc(C(=O)O)nc2ccccc12)C1CC1
InChIInChI=1S/C17H20N2O2/c1-11(2)10-19(12-7-8-12)16-9-15(17(20)21)18-14-6-4-3-5-13(14)16/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,20,21)
InChIKeyICRVRBQVJMZTSF-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.56
Rot. Bonds5

About 4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid

4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid (PubChem CID 63537181) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid
PubChem CID63537181
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid
SMILESCC(C)CN(c1cc(C(=O)O)nc2ccccc12)C1CC1
InChIInChI=1S/C17H20N2O2/c1-11(2)10-19(12-7-8-12)16-9-15(17(20)21)18-14-6-4-3-5-13(14)16/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,20,21)
InChIKeyICRVRBQVJMZTSF-UHFFFAOYSA-N
XLogP3.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide
CID 63376080
2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid
CID 54945667
4-[1-hydroxypropan-2-yl(methyl)amino]quinoline-2-carboxylic acid
CID 113426065
2-[cyclopropyl(2-methylpropyl)amino]quinoline-4-carbothioamide
CID 63886281
1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone
CID 55002410
4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid
CID 63377647
4-(dipropylamino)quinoline-2-carboxylic acid
CID 63528337
4-[1-(4-fluorophenyl)ethylcarbamoyl-sulfanylamino]quinoline-2-carboxylic acid
CID 57258760
4-[2-cyanoethyl(propan-2-yl)amino]quinoline-2-carboxylic acid
CID 63377065
6-[cyclopropyl(2-methylpropyl)amino]-5-nitropyridine-2-carboxylic acid
CID 114403907
N-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine
CID 63373958
2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide
CID 113332803

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid?
The IUPAC name of 4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid (CID 63537181) is 4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid is CC(C)CN(c1cc(C(=O)O)nc2ccccc12)C1CC1.
What is the InChIKey of 4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid?
The InChIKey is ICRVRBQVJMZTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11(2)10-19(12-7-8-12)16-9-15(17(20)21)18-14-6-4-3-5-13(14)16/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,20,21).
What are the key properties of 4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid?
4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid is sourced from PubChem (CID 63537181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).