4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid

C15H19N3O2 — CID 63377739

IUPAC4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
SMILESCC(CNc1cc(C(=O)O)nc2ccccc12)N(C)C
InChIInChI=1S/C15H19N3O2/c1-10(18(2)3)9-16-13-8-14(15(19)20)17-12-7-5-4-6-11(12)13/h4-8,10H,9H2,1-3H3,(H,16,17)(H,19,20)
InChIKeyZUVNMTXASIZOIJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.30
Rot. Bonds5

About 4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid

4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid (PubChem CID 63377739) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
PubChem CID63377739
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
SMILESCC(CNc1cc(C(=O)O)nc2ccccc12)N(C)C
InChIInChI=1S/C15H19N3O2/c1-10(18(2)3)9-16-13-8-14(15(19)20)17-12-7-5-4-6-11(12)13/h4-8,10H,9H2,1-3H3,(H,16,17)(H,19,20)
InChIKeyZUVNMTXASIZOIJ-UHFFFAOYSA-N
XLogP2.30
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid
CID 103462060
4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid
CID 55185061
4-(2-ethoxyethylamino)quinoline-2-carboxylic acid
CID 55183063
4-(2-acetamidoethylamino)quinoline-2-carboxylic acid
CID 63373952
N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide
CID 63377555
4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid
CID 63374041
4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid
CID 106293362
4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid
CID 63377479
4-[1-hydroxypropan-2-yl(methyl)amino]quinoline-2-carboxylic acid
CID 113426065
4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid
CID 106350345
4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
CID 63376386
4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid
CID 63377476

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid?
The IUPAC name of 4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid (CID 63377739) is 4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid.
What is the SMILES notation for 4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid?
The canonical SMILES for 4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid is CC(CNc1cc(C(=O)O)nc2ccccc12)N(C)C.
What is the InChIKey of 4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid?
The InChIKey is ZUVNMTXASIZOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(18(2)3)9-16-13-8-14(15(19)20)17-12-7-5-4-6-11(12)13/h4-8,10H,9H2,1-3H3,(H,16,17)(H,19,20).
What are the key properties of 4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid?
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid is sourced from PubChem (CID 63377739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).