4-hydroxy-2-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C19H22N2O3 — CID 54676582

IUPAC4-hydroxy-2-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C19H22N2O3/c22-17-14-10-4-5-11-15(14)21-19(24)16(17)18(23)20-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,20,23)(H2,21,22,24)
InChIKeyJFSLVWYCZSHXFS-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.32
Rot. Bonds5

About 4-hydroxy-2-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-hydroxy-2-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54676582) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54676582
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-hydroxy-2-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C19H22N2O3/c22-17-14-10-4-5-11-15(14)21-19(24)16(17)18(23)20-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,20,23)(H2,21,22,24)
InChIKeyJFSLVWYCZSHXFS-UHFFFAOYSA-N
XLogP2.32
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hydroxy-2-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide 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 4-hydroxy-2-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54676582) is 4-hydroxy-2-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is O=C(NCCCc1ccccc1)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of 4-hydroxy-2-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is JFSLVWYCZSHXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-17-14-10-4-5-11-15(14)21-19(24)16(17)18(23)20-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,20,23)(H2,21,22,24).
What are the key properties of 4-hydroxy-2-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-hydroxy-2-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54676582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).