4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid

C18H16N2O3 — CID 66487281

IUPAC4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid
SMILESCCOc1ccc2c(Nc3ccc(C(=O)O)cc3)ccnc2c1
InChIInChI=1S/C18H16N2O3/c1-2-23-14-7-8-15-16(9-10-19-17(15)11-14)20-13-5-3-12(4-6-13)18(21)22/h3-11H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeyXLTWHGNLPWSGPF-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.08
Rot. Bonds5

About 4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid

4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid (PubChem CID 66487281) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid
PubChem CID66487281
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid
SMILESCCOc1ccc2c(Nc3ccc(C(=O)O)cc3)ccnc2c1
InChIInChI=1S/C18H16N2O3/c1-2-23-14-7-8-15-16(9-10-19-17(15)11-14)20-13-5-3-12(4-6-13)18(21)22/h3-11H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeyXLTWHGNLPWSGPF-UHFFFAOYSA-N
XLogP4.08
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate
CID 66487273
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide
CID 50877965
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
CID 176515048
methyl 4-[(7-bromoquinolin-4-yl)amino]benzoate
CID 50877245
[4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone
CID 164589332
4-(quinolin-5-ylamino)benzoic acid
CID 62230854
4-(4-ethoxyanilino)pyridine-3-carboxylic acid
CID 81233372
7-(difluoromethoxy)-N-phenylquinolin-4-amine
CID 168886760
4-[[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19149280
4-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 43326061

Frequently Asked Questions

What is the IUPAC name of 4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid?
The IUPAC name of 4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid (CID 66487281) is 4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid?
The canonical SMILES for 4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid is CCOc1ccc2c(Nc3ccc(C(=O)O)cc3)ccnc2c1.
What is the InChIKey of 4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid?
The InChIKey is XLTWHGNLPWSGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-23-14-7-8-15-16(9-10-19-17(15)11-14)20-13-5-3-12(4-6-13)18(21)22/h3-11H,2H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid?
4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid has a molecular weight of 308.34 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid is sourced from PubChem (CID 66487281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).