4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid

C15H15N3O2 — CID 63377647

IUPAC4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid
SMILESCC(C#N)CN(C)c1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C15H15N3O2/c1-10(8-16)9-18(2)14-7-13(15(19)20)17-12-6-4-3-5-11(12)14/h3-7,10H,9H2,1-2H3,(H,19,20)
InChIKeySLASSJRZKZOWST-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.53
Rot. Bonds4

About 4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid

4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid (PubChem CID 63377647) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid
PubChem CID63377647
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid
SMILESCC(C#N)CN(C)c1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C15H15N3O2/c1-10(8-16)9-18(2)14-7-13(15(19)20)17-12-6-4-3-5-11(12)14/h3-7,10H,9H2,1-2H3,(H,19,20)
InChIKeySLASSJRZKZOWST-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid
CID 106916046
4-[2-cyanoethyl(propan-2-yl)amino]quinoline-2-carboxylic acid
CID 63377065
4-[1-hydroxypropan-2-yl(methyl)amino]quinoline-2-carboxylic acid
CID 113426065
4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid
CID 63537181
4-(dipropylamino)quinoline-2-carboxylic acid
CID 63528337
N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 62181387
1-[methyl-(2-methylquinolin-4-yl)amino]propan-2-ol
CID 55060878
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739
(2R)-2-methyl-3-[methyl-(2-pyridin-4-ylquinazolin-4-yl)amino]propanenitrile
CID 94181210
2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 54991956
2-[2-cyanopropyl(methyl)amino]benzonitrile
CID 60966613
4-methylsulfanylquinoline-2-carboxylic acid
CID 63377616

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid?
The IUPAC name of 4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid (CID 63377647) is 4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid.
What is the SMILES notation for 4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid?
The canonical SMILES for 4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid is CC(C#N)CN(C)c1cc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid?
The InChIKey is SLASSJRZKZOWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10(8-16)9-18(2)14-7-13(15(19)20)17-12-6-4-3-5-11(12)14/h3-7,10H,9H2,1-2H3,(H,19,20).
What are the key properties of 4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid?
4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid is sourced from PubChem (CID 63377647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).