4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid

C18H14N4O2 — CID 171406094

IUPAC4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid
SMILESCc1cc(Nc2nc3ccccc3c3[nH]c(C(=O)O)cc23)ccn1
InChIInChI=1S/C18H14N4O2/c1-10-8-11(6-7-19-10)20-17-13-9-15(18(23)24)21-16(13)12-4-2-3-5-14(12)22-17/h2-9,21H,1H3,(H,23,24)(H,19,20,22)
InChIKeyUGJGENFOGUFKFE-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.86
Rot. Bonds3

About 4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid

4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid (PubChem CID 171406094) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid
PubChem CID171406094
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid
SMILESCc1cc(Nc2nc3ccccc3c3[nH]c(C(=O)O)cc23)ccn1
InChIInChI=1S/C18H14N4O2/c1-10-8-11(6-7-19-10)20-17-13-9-15(18(23)24)21-16(13)12-4-2-3-5-14(12)22-17/h2-9,21H,1H3,(H,23,24)(H,19,20,22)
InChIKeyUGJGENFOGUFKFE-UHFFFAOYSA-N
XLogP3.86
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid?
The IUPAC name of 4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid (CID 171406094) is 4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid?
The canonical SMILES for 4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid is Cc1cc(Nc2nc3ccccc3c3[nH]c(C(=O)O)cc23)ccn1.
What is the InChIKey of 4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid?
The InChIKey is UGJGENFOGUFKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-10-8-11(6-7-19-10)20-17-13-9-15(18(23)24)21-16(13)12-4-2-3-5-14(12)22-17/h2-9,21H,1H3,(H,23,24)(H,19,20,22).
What are the key properties of 4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid?
4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid has a molecular weight of 318.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid is sourced from PubChem (CID 171406094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).