(2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid

C15H17NO4 — CID 177489818

IUPAC(2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid
SMILESCCCCC1(O)C(=O)Nc2ccccc2/C1=C/C(=O)O
InChIInChI=1S/C15H17NO4/c1-2-3-8-15(20)11(9-13(17)18)10-6-4-5-7-12(10)16-14(15)19/h4-7,9,20H,2-3,8H2,1H3,(H,16,19)(H,17,18)/b11-9-
InChIKeyOCIZXNWMPNSRIO-LUAWRHEFSA-N
MW275.30 g/mol
LogP2.03
Rot. Bonds4

About (2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid

(2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid (PubChem CID 177489818) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid
PubChem CID177489818
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid
SMILESCCCCC1(O)C(=O)Nc2ccccc2/C1=C/C(=O)O
InChIInChI=1S/C15H17NO4/c1-2-3-8-15(20)11(9-13(17)18)10-6-4-5-7-12(10)16-14(15)19/h4-7,9,20H,2-3,8H2,1H3,(H,16,19)(H,17,18)/b11-9-
InChIKeyOCIZXNWMPNSRIO-LUAWRHEFSA-N
XLogP2.03
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic 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

3-butyl-3-hydroxy-1H-indol-2-one
CID 15744776
3-hydroxy-3-octyl-1H-indol-2-one
CID 83036797
ethyl (2E)-2-(3-butyl-3-hydroxy-1-methyl-2-oxoquinolin-4-ylidene)acetate
CID 10615422
3-fluoro-3-heptyl-1H-quinoline-2,4-dione
CID 2784364
3-bromo-3-hexyl-1H-quinoline-2,4-dione
CID 10403960
3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione
CID 10530739
3-hydroxy-3-[(E)-2-oxohept-3-enyl]-1H-indol-2-one
CID 134155899
(3R)-3-butyl-3-hydroxy-1-methylquinoline-2,4-dione
CID 7067612
(3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione
CID 11624373
2-benzofuran-1,3-dione;octadecanoic acid
CID 88717434
1-benzyl-3-butyl-3-hydroxyquinoline-2,4-dione
CID 12033042
3-butyl-3-hydroxy-5-(4-methylanilino)-1H-indol-2-one
CID 141465881

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid?
The IUPAC name of (2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid (CID 177489818) is (2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid.
What is the SMILES notation for (2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid?
The canonical SMILES for (2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid is CCCCC1(O)C(=O)Nc2ccccc2/C1=C/C(=O)O.
What is the InChIKey of (2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid?
The InChIKey is OCIZXNWMPNSRIO-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-3-8-15(20)11(9-13(17)18)10-6-4-5-7-12(10)16-14(15)19/h4-7,9,20H,2-3,8H2,1H3,(H,16,19)(H,17,18)/b11-9-.
What are the key properties of (2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid?
(2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid has a molecular weight of 275.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid is sourced from PubChem (CID 177489818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).