3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid

C20H15N3O2 — CID 167970152

IUPAC3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESN#Cc1cnc2ccccc2c1NC1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C20H15N3O2/c21-10-12-11-22-17-8-4-3-7-15(17)19(12)23-18-9-16(20(24)25)13-5-1-2-6-14(13)18/h1-8,11,16,18H,9H2,(H,22,23)(H,24,25)
InChIKeyJYENUFKUJQSLJQ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.83
Rot. Bonds3

About 3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid

3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 167970152) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID167970152
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESN#Cc1cnc2ccccc2c1NC1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C20H15N3O2/c21-10-12-11-22-17-8-4-3-7-15(17)19(12)23-18-9-16(20(24)25)13-5-1-2-6-14(13)18/h1-8,11,16,18H,9H2,(H,22,23)(H,24,25)
InChIKeyJYENUFKUJQSLJQ-UHFFFAOYSA-N
XLogP3.83
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid with MolForge

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Related Compounds

4-[(3-cyanoquinolin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79192993
4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile
CID 43668939
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile
CID 43668993
4-[(2-methylcyclohexyl)amino]quinoline-3-carbonitrile
CID 43668956
4-[(3-cyanoquinolin-4-yl)amino]-4-methylpentanoic acid
CID 62042866
3-[(3-cyanoquinolin-4-yl)amino]butanoic acid
CID 43668869
N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115657281
4-[[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]quinoline-3-carbonitrile
CID 133354904
3-[(3-cyanoquinolin-4-yl)amino]propanamide
CID 43669033
2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide
CID 43668990
4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile
CID 113485505

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid (CID 167970152) is 3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid is N#Cc1cnc2ccccc2c1NC1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is JYENUFKUJQSLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c21-10-12-11-22-17-8-4-3-7-15(17)19(12)23-18-9-16(20(24)25)13-5-1-2-6-14(13)18/h1-8,11,16,18H,9H2,(H,22,23)(H,24,25).
What are the key properties of 3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyanoquinolin-4-yl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 167970152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).