3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid

C23H21N3O2 — CID 141448054

IUPAC3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid
SMILESCc1cc2cc(-c3nc4ccc(C(=O)O)cc4cc3N(C)C3CC3)ccc2[nH]1
InChIInChI=1S/C23H21N3O2/c1-13-9-16-10-14(3-7-19(16)24-13)22-21(26(2)18-5-6-18)12-17-11-15(23(27)28)4-8-20(17)25-22/h3-4,7-12,18,24H,5-6H2,1-2H3,(H,27,28)
InChIKeyFWSRVWARLRCHAZ-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.99
Rot. Bonds4

About 3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid

3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid (PubChem CID 141448054) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid
PubChem CID141448054
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid
SMILESCc1cc2cc(-c3nc4ccc(C(=O)O)cc4cc3N(C)C3CC3)ccc2[nH]1
InChIInChI=1S/C23H21N3O2/c1-13-9-16-10-14(3-7-19(16)24-13)22-21(26(2)18-5-6-18)12-17-11-15(23(27)28)4-8-20(17)25-22/h3-4,7-12,18,24H,5-6H2,1-2H3,(H,27,28)
InChIKeyFWSRVWARLRCHAZ-UHFFFAOYSA-N
XLogP4.99
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-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 3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid?
The IUPAC name of 3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid (CID 141448054) is 3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid.
What is the SMILES notation for 3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid?
The canonical SMILES for 3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid is Cc1cc2cc(-c3nc4ccc(C(=O)O)cc4cc3N(C)C3CC3)ccc2[nH]1.
What is the InChIKey of 3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid?
The InChIKey is FWSRVWARLRCHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-13-9-16-10-14(3-7-19(16)24-13)22-21(26(2)18-5-6-18)12-17-11-15(23(27)28)4-8-20(17)25-22/h3-4,7-12,18,24H,5-6H2,1-2H3,(H,27,28).
What are the key properties of 3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid?
3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid has a molecular weight of 371.44 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid is sourced from PubChem (CID 141448054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).