8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid

C21H22N2O3 — CID 7719171

IUPAC8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid
SMILESCCCOc1ccc(Nc2c(C(=O)O)cnc3c(CC)cccc23)cc1
InChIInChI=1S/C21H22N2O3/c1-3-12-26-16-10-8-15(9-11-16)23-20-17-7-5-6-14(4-2)19(17)22-13-18(20)21(24)25/h5-11,13H,3-4,12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyFRPQQNPMSKIPSE-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.03
Rot. Bonds7

About 8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid

8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid (PubChem CID 7719171) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid
PubChem CID7719171
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid
SMILESCCCOc1ccc(Nc2c(C(=O)O)cnc3c(CC)cccc23)cc1
InChIInChI=1S/C21H22N2O3/c1-3-12-26-16-10-8-15(9-11-16)23-20-17-7-5-6-14(4-2)19(17)22-13-18(20)21(24)25/h5-11,13H,3-4,12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyFRPQQNPMSKIPSE-UHFFFAOYSA-N
XLogP5.03
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid
CID 81244627
2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline
CID 139620226
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid
CID 110435384
ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate
CID 23734415
4-(4-acetylanilino)-3-ethoxycarbonylquinoline-8-carboxylic acid
CID 1179442
ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate
CID 23769624
diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate
CID 23794912
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
methyl 4-chloro-8-ethylquinoline-3-carboxylate
CID 102614374
ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
CID 2790966

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid?
The IUPAC name of 8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid (CID 7719171) is 8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid.
What is the SMILES notation for 8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid?
The canonical SMILES for 8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid is CCCOc1ccc(Nc2c(C(=O)O)cnc3c(CC)cccc23)cc1.
What is the InChIKey of 8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid?
The InChIKey is FRPQQNPMSKIPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-12-26-16-10-8-15(9-11-16)23-20-17-7-5-6-14(4-2)19(17)22-13-18(20)21(24)25/h5-11,13H,3-4,12H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid?
8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid is sourced from PubChem (CID 7719171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).