4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid

C15H15N3O2 — CID 63228175

IUPAC4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid
SMILESCC(CC#N)N(C)c1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C15H15N3O2/c1-10(7-8-16)18(2)14-11-5-3-4-6-13(11)17-9-12(14)15(19)20/h3-6,9-10H,7H2,1-2H3,(H,19,20)
InChIKeyBQHMDDVWBVBIAJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.67
Rot. Bonds4

About 4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid

4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid (PubChem CID 63228175) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid
PubChem CID63228175
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid
SMILESCC(CC#N)N(C)c1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C15H15N3O2/c1-10(7-8-16)18(2)14-11-5-3-4-6-13(11)17-9-12(14)15(19)20/h3-6,9-10H,7H2,1-2H3,(H,19,20)
InChIKeyBQHMDDVWBVBIAJ-UHFFFAOYSA-N
XLogP2.67
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-cyanopropan-2-yl(methyl)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-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61339360
4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61340980
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid
CID 61341531
2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid
CID 62637373
2-amino-3-[1-cyanopropan-2-yl(methyl)amino]benzoic acid
CID 115546069
4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide
CID 43669797
4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide
CID 43669816
4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid
CID 107200323
4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid
CID 79672341
N'-hydroxy-4-[methyl(1-methylsulfanylpropan-2-yl)amino]quinoline-3-carboximidamide
CID 115985950

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid?
The IUPAC name of 4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid (CID 63228175) is 4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid?
The canonical SMILES for 4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid is CC(CC#N)N(C)c1c(C(=O)O)cnc2ccccc12.
What is the InChIKey of 4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid?
The InChIKey is BQHMDDVWBVBIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10(7-8-16)18(2)14-11-5-3-4-6-13(11)17-9-12(14)15(19)20/h3-6,9-10H,7H2,1-2H3,(H,19,20).
What are the key properties of 4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid?
4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 63228175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).