3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid

C18H16N2O3 — CID 66487427

IUPAC3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid
SMILESCCOc1cccc2c(Nc3cccc(C(=O)O)c3)ccnc12
InChIInChI=1S/C18H16N2O3/c1-2-23-16-8-4-7-14-15(9-10-19-17(14)16)20-13-6-3-5-12(11-13)18(21)22/h3-11H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeySENBLXFRDQFDMA-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.08
Rot. Bonds5

About 3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid

3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid (PubChem CID 66487427) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid
PubChem CID66487427
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid
SMILESCCOc1cccc2c(Nc3cccc(C(=O)O)c3)ccnc12
InChIInChI=1S/C18H16N2O3/c1-2-23-16-8-4-7-14-15(9-10-19-17(14)16)20-13-6-3-5-12(11-13)18(21)22/h3-11H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeySENBLXFRDQFDMA-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

3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid
CID 46397774
3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)benzoic acid
CID 58086793
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid
CID 702836
3-[[6-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 46397739
4-(3-ethoxyanilino)-3-methylbenzoic acid
CID 63212509
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790119
4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide
CID 50877965
4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid
CID 66487281
3-[(8-propoxyquinolin-4-yl)amino]propanoic acid
CID 122048150
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
3-[[6-chloro-7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 66487385
3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid
CID 43358939

Frequently Asked Questions

What is the IUPAC name of 3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid?
The IUPAC name of 3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid (CID 66487427) is 3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid.
What is the SMILES notation for 3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid?
The canonical SMILES for 3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid is CCOc1cccc2c(Nc3cccc(C(=O)O)c3)ccnc12.
What is the InChIKey of 3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid?
The InChIKey is SENBLXFRDQFDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-23-16-8-4-7-14-15(9-10-19-17(14)16)20-13-6-3-5-12(11-13)18(21)22/h3-11H,2H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid?
3-[(8-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 3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid is sourced from PubChem (CID 66487427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).