4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid

C17H20N4O2 — CID 170672708

IUPAC4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESCN(C)CCCNc1nc2ccccc2c2c(C(=O)O)c[nH]c12
InChIInChI=1S/C17H20N4O2/c1-21(2)9-5-8-18-16-15-14(12(10-19-15)17(22)23)11-6-3-4-7-13(11)20-16/h3-4,6-7,10,19H,5,8-9H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyNQPDNCBBEHSMFG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.78
Rot. Bonds6

About 4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid

4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid (PubChem CID 170672708) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid
PubChem CID170672708
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESCN(C)CCCNc1nc2ccccc2c2c(C(=O)O)c[nH]c12
InChIInChI=1S/C17H20N4O2/c1-21(2)9-5-8-18-16-15-14(12(10-19-15)17(22)23)11-6-3-4-7-13(11)20-16/h3-4,6-7,10,19H,5,8-9H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyNQPDNCBBEHSMFG-UHFFFAOYSA-N
XLogP2.78
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-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

1-[3-(dimethylamino)propylamino]isoquinoline-4-carboxylic acid
CID 106766513
4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid
CID 21426004
N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine
CID 156820936
N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine
CID 18549017
4-[4-(dimethylamino)butylamino]quinazoline-5-carboxylic acid;hydrochloride
CID 20982537
2-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876689
2-[3-[cyclohexyl(methyl)amino]propylamino]quinoline-4-carboxylic acid
CID 50805947
4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride
CID 20982620
N',N'-dimethyl-N-(2-thiophen-3-ylquinazolin-4-yl)propane-1,3-diamine
CID 156820966
N-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 58796996
methyl 4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]-4-oxobutanoate
CID 58797313
N',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride
CID 69071537

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid?
The IUPAC name of 4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid (CID 170672708) is 4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid is CN(C)CCCNc1nc2ccccc2c2c(C(=O)O)c[nH]c12.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid?
The InChIKey is NQPDNCBBEHSMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21(2)9-5-8-18-16-15-14(12(10-19-15)17(22)23)11-6-3-4-7-13(11)20-16/h3-4,6-7,10,19H,5,8-9H2,1-2H3,(H,18,20)(H,22,23).
What are the key properties of 4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid?
4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid is sourced from PubChem (CID 170672708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).