5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid

C15H11ClN2O3 — CID 104608662

IUPAC5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNc2ccc(Cl)c3cccnc23)c1
InChIInChI=1S/C15H11ClN2O3/c16-12-3-4-13(14-11(12)2-1-5-17-14)18-7-10-6-9(8-21-10)15(19)20/h1-6,8,18H,7H2,(H,19,20)
InChIKeyBRWPXPUXQOUICO-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.79
Rot. Bonds4

About 5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid

5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid (PubChem CID 104608662) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid
PubChem CID104608662
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNc2ccc(Cl)c3cccnc23)c1
InChIInChI=1S/C15H11ClN2O3/c16-12-3-4-13(14-11(12)2-1-5-17-14)18-7-10-6-9(8-21-10)15(19)20/h1-6,8,18H,7H2,(H,19,20)
InChIKeyBRWPXPUXQOUICO-UHFFFAOYSA-N
XLogP3.79
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-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

2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
5-[(2,6-dichloroanilino)methyl]furan-3-carboxylic acid
CID 113432526
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
3-[[(5-chloroquinolin-8-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103267146
5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine
CID 116783955
5-[(2-chloro-5-sulfamoylanilino)methyl]furan-3-carboxylic acid
CID 104608578
6-[(5-chloroquinolin-8-yl)amino]hexanoic acid
CID 116784056
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
5-[[(6-chloro-1,3-benzodioxol-5-yl)amino]methyl]furan-3-carboxylic acid
CID 104608322
5-[[2-chloro-6-(trifluoromethyl)anilino]methyl]furan-3-carboxylic acid
CID 104608151
2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 176989225
2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone
CID 116783960

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid (CID 104608662) is 5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid is O=C(O)c1coc(CNc2ccc(Cl)c3cccnc23)c1.
What is the InChIKey of 5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is BRWPXPUXQOUICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-12-3-4-13(14-11(12)2-1-5-17-14)18-7-10-6-9(8-21-10)15(19)20/h1-6,8,18H,7H2,(H,19,20).
What are the key properties of 5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid?
5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 302.72 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).