3-(3-hydroxyphenyl)propyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate

C19H16ClNO5 — CID 54733328

IUPAC3-(3-hydroxyphenyl)propyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESO=C(OCCCc1cccc(O)c1)c1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C19H16ClNO5/c20-12-6-7-14-15(10-12)21-18(24)16(17(14)23)19(25)26-8-2-4-11-3-1-5-13(22)9-11/h1,3,5-7,9-10,22H,2,4,8H2,(H2,21,23,24)
InChIKeyJYAZIIOHQQCOFF-UHFFFAOYSA-N
MW373.79 g/mol
LogP3.38
Rot. Bonds5

About 3-(3-hydroxyphenyl)propyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate

3-(3-hydroxyphenyl)propyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 54733328) has the molecular formula C19H16ClNO5 and a molecular weight of 373.79 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)propyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)propyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
PubChem CID54733328
Molecular FormulaC19H16ClNO5
Molecular Weight373.79 g/mol
Exact Mass373.07
IUPAC Name3-(3-hydroxyphenyl)propyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESO=C(OCCCc1cccc(O)c1)c1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C19H16ClNO5/c20-12-6-7-14-15(10-12)21-18(24)16(17(14)23)19(25)26-8-2-4-11-3-1-5-13(22)9-11/h1,3,5-7,9-10,22H,2,4,8H2,(H2,21,23,24)
InChIKeyJYAZIIOHQQCOFF-UHFFFAOYSA-N
XLogP3.38
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-hydroxyphenyl)propyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)propyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of 3-(3-hydroxyphenyl)propyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate (CID 54733328) is 3-(3-hydroxyphenyl)propyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for 3-(3-hydroxyphenyl)propyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for 3-(3-hydroxyphenyl)propyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate is O=C(OCCCc1cccc(O)c1)c1c(O)c2ccc(Cl)cc2[nH]c1=O.
What is the InChIKey of 3-(3-hydroxyphenyl)propyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is JYAZIIOHQQCOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO5/c20-12-6-7-14-15(10-12)21-18(24)16(17(14)23)19(25)26-8-2-4-11-3-1-5-13(22)9-11/h1,3,5-7,9-10,22H,2,4,8H2,(H2,21,23,24).
What are the key properties of 3-(3-hydroxyphenyl)propyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
3-(3-hydroxyphenyl)propyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 373.79 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)propyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 54733328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).