2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid

C20H18N2O4 — CID 66786892

IUPAC2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid
SMILESCCCOC(=O)c1ccccc1-c1c(C(=O)O)c(N)nc2ccccc12
InChIInChI=1S/C20H18N2O4/c1-2-11-26-20(25)13-8-4-3-7-12(13)16-14-9-5-6-10-15(14)22-18(21)17(16)19(23)24/h3-10H,2,11H2,1H3,(H2,21,22)(H,23,24)
InChIKeyAYSWZZCXJUWURM-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.75
Rot. Bonds5

About 2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid

2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid (PubChem CID 66786892) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid
PubChem CID66786892
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid
SMILESCCCOC(=O)c1ccccc1-c1c(C(=O)O)c(N)nc2ccccc12
InChIInChI=1S/C20H18N2O4/c1-2-11-26-20(25)13-8-4-3-7-12(13)16-14-9-5-6-10-15(14)22-18(21)17(16)19(23)24/h3-10H,2,11H2,1H3,(H2,21,22)(H,23,24)
InChIKeyAYSWZZCXJUWURM-UHFFFAOYSA-N
XLogP3.75
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(2-propoxycarbonylphenyl)quinoline-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

propyl 2-aminoquinoline-3-carboxylate
CID 10775804
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
2,3-bis(propoxycarbonyl)benzoic acid
CID 91156488
ethyl 2-amino-4-chloroquinoline-3-carboxylate
CID 141107450
butyl 2-(2-butoxycarbonylphenyl)-3-phenylbenzoate
CID 69286308
hexyl 2-(4-octoxycarbonylquinolin-2-yl)quinoline-4-carboxylate
CID 3428854
butyl 2-fluoroquinoline-4-carboxylate
CID 151844507
benzene;dibutyl benzene-1,2-dicarboxylate
CID 19818080
carbonic acid;propyl 2-propoxybenzoate
CID 69345278
2-O-nonyl 1-O-propyl benzene-1,2-dicarboxylate
CID 525243
2-O-butyl 1-O-propyl benzene-1,2-dicarboxylate;2-hydroxyacetic acid
CID 160618888
propyl 2-methylbenzoate
CID 23432654

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid?
The IUPAC name of 2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid (CID 66786892) is 2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid?
The canonical SMILES for 2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid is CCCOC(=O)c1ccccc1-c1c(C(=O)O)c(N)nc2ccccc12.
What is the InChIKey of 2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid?
The InChIKey is AYSWZZCXJUWURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-11-26-20(25)13-8-4-3-7-12(13)16-14-9-5-6-10-15(14)22-18(21)17(16)19(23)24/h3-10H,2,11H2,1H3,(H2,21,22)(H,23,24).
What are the key properties of 2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid?
2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid has a molecular weight of 350.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-propoxycarbonylphenyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 66786892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).