4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid

C15H18N2O2 — CID 61340980

IUPAC4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid
SMILESCCN(c1c(C(=O)O)cnc2ccccc12)C(C)C
InChIInChI=1S/C15H18N2O2/c1-4-17(10(2)3)14-11-7-5-6-8-13(11)16-9-12(14)15(18)19/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyFKOJAPAAXVWVIO-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.17
Rot. Bonds4

About 4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid

4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid (PubChem CID 61340980) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid
PubChem CID61340980
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid
SMILESCCN(c1c(C(=O)O)cnc2ccccc12)C(C)C
InChIInChI=1S/C15H18N2O2/c1-4-17(10(2)3)14-11-7-5-6-8-13(11)16-9-12(14)15(18)19/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyFKOJAPAAXVWVIO-UHFFFAOYSA-N
XLogP3.17
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid
CID 61341531
4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide
CID 43669634
4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61339360
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid
CID 63228175
2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid
CID 61012802
4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid
CID 107200323
4-butoxyquinoline-3-carboxylic acid
CID 61339357
4-(1-methoxyethyl)quinoline-3-carboxylic acid
CID 135324304
4-[ethyl(2-methylpropyl)amino]quinoline-3-carbothioamide
CID 43669643
4-pentoxyquinoline-3-carboxylic acid
CID 61339358

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid?
The IUPAC name of 4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid (CID 61340980) is 4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid is CCN(c1c(C(=O)O)cnc2ccccc12)C(C)C.
What is the InChIKey of 4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid?
The InChIKey is FKOJAPAAXVWVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-17(10(2)3)14-11-7-5-6-8-13(11)16-9-12(14)15(18)19/h5-10H,4H2,1-3H3,(H,18,19).
What are the key properties of 4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid?
4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 61340980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).