4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid

C15H16N2O2 — CID 55090979

IUPAC4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid
SMILESCC(Nc1c(C(=O)O)cnc2ccccc12)C1CC1
InChIInChI=1S/C15H16N2O2/c1-9(10-6-7-10)17-14-11-4-2-3-5-13(11)16-8-12(14)15(18)19/h2-5,8-10H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyQOOZJGMMCCRHHC-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.14
Rot. Bonds4

About 4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid

4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid (PubChem CID 55090979) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid
PubChem CID55090979
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid
SMILESCC(Nc1c(C(=O)O)cnc2ccccc12)C1CC1
InChIInChI=1S/C15H16N2O2/c1-9(10-6-7-10)17-14-11-4-2-3-5-13(11)16-8-12(14)15(18)19/h2-5,8-10H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyQOOZJGMMCCRHHC-UHFFFAOYSA-N
XLogP3.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid
CID 63510528
4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid
CID 167743343
N-[(1R)-1-cyclohexylethyl]-3-nitroquinolin-4-amine
CID 162716248
4-(4-carboxyanilino)quinoline-3-carboxylic acid
CID 7719142
4-(4-chloroanilino)quinoline-3-carboxylic acid
CID 63537972
4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid
CID 113464690
4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid
CID 61404666
4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81233057
4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid
CID 66006604
N-(1-cyclopropylethyl)quinolin-4-amine
CID 61340996
4-(2-methoxyethylamino)quinoline-3-carboxylic acid
CID 61340793
4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61339890

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid?
The IUPAC name of 4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid (CID 55090979) is 4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid?
The canonical SMILES for 4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid is CC(Nc1c(C(=O)O)cnc2ccccc12)C1CC1.
What is the InChIKey of 4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid?
The InChIKey is QOOZJGMMCCRHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9(10-6-7-10)17-14-11-4-2-3-5-13(11)16-8-12(14)15(18)19/h2-5,8-10H,6-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid?
4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid is sourced from PubChem (CID 55090979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).