4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid

C19H16N2O4 — CID 166181923

IUPAC4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(Oc2cccc3cccnc23)cc1
InChIInChI=1S/C19H16N2O4/c22-17(10-11-18(23)24)21-14-6-8-15(9-7-14)25-16-5-1-3-13-4-2-12-20-19(13)16/h1-9,12H,10-11H2,(H,21,22)(H,23,24)
InChIKeyNPYRYBRXIMJTHU-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.83
Rot. Bonds6

About 4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid

4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid (PubChem CID 166181923) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid
PubChem CID166181923
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(Oc2cccc3cccnc23)cc1
InChIInChI=1S/C19H16N2O4/c22-17(10-11-18(23)24)21-14-6-8-15(9-7-14)25-16-5-1-3-13-4-2-12-20-19(13)16/h1-9,12H,10-11H2,(H,21,22)(H,23,24)
InChIKeyNPYRYBRXIMJTHU-UHFFFAOYSA-N
XLogP3.83
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic 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

4-quinolin-8-yloxybenzoic acid
CID 28825287
(2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide
CID 52519697
(2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide
CID 95305079
quinolin-8-yl N-(4-ethoxyphenyl)carbamate
CID 3434150
N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide
CID 60601662
N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide
CID 109042005
methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate
CID 26217849
3-(quinolin-8-yloxycarbonylamino)propanoic acid
CID 116819716
1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea
CID 2981274
quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate
CID 69033100
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide
CID 51552903
tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate
CID 59702180

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid?
The IUPAC name of 4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid (CID 166181923) is 4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid.
What is the SMILES notation for 4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid?
The canonical SMILES for 4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid is O=C(O)CCC(=O)Nc1ccc(Oc2cccc3cccnc23)cc1.
What is the InChIKey of 4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid?
The InChIKey is NPYRYBRXIMJTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-17(10-11-18(23)24)21-14-6-8-15(9-7-14)25-16-5-1-3-13-4-2-12-20-19(13)16/h1-9,12H,10-11H2,(H,21,22)(H,23,24).
What are the key properties of 4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid?
4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid has a molecular weight of 336.35 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid is sourced from PubChem (CID 166181923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).