4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid

C16H19N3O2 — CID 61404666

IUPAC4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1NCCCNC1CC1
InChIInChI=1S/C16H19N3O2/c20-16(21)13-10-19-14-5-2-1-4-12(14)15(13)18-9-3-8-17-11-6-7-11/h1-2,4-5,10-11,17H,3,6-9H2,(H,18,19)(H,20,21)
InChIKeyUGBMGVGFYGHTLL-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.49
Rot. Bonds7

About 4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid

4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid (PubChem CID 61404666) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid
PubChem CID61404666
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1NCCCNC1CC1
InChIInChI=1S/C16H19N3O2/c20-16(21)13-10-19-14-5-2-1-4-12(14)15(13)18-9-3-8-17-11-6-7-11/h1-2,4-5,10-11,17H,3,6-9H2,(H,18,19)(H,20,21)
InChIKeyUGBMGVGFYGHTLL-UHFFFAOYSA-N
XLogP2.49
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid
CID 107853405
4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid
CID 66006604
4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid
CID 167743343
4-(2-methoxyethylamino)quinoline-3-carboxylic acid
CID 61340793
4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid
CID 63510528
4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61339890
4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid
CID 113464690
4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid
CID 106400814
4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid
CID 55090979
bis[4-(benzylamino)quinolin-3-yl]methanone
CID 154508571
6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid
CID 61404521
4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61340797

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid?
The IUPAC name of 4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid (CID 61404666) is 4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid?
The canonical SMILES for 4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid is O=C(O)c1cnc2ccccc2c1NCCCNC1CC1.
What is the InChIKey of 4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid?
The InChIKey is UGBMGVGFYGHTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(21)13-10-19-14-5-2-1-4-12(14)15(13)18-9-3-8-17-11-6-7-11/h1-2,4-5,10-11,17H,3,6-9H2,(H,18,19)(H,20,21).
What are the key properties of 4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid?
4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid is sourced from PubChem (CID 61404666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).