N-(3-ethoxypropyl)-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide

C23H26N2O3 — CID 5051670

IUPACN-(3-ethoxypropyl)-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
SMILESCCOCCCNC(=O)c1cc(=O)n(Cc2cccc(C)c2)c2ccccc12
InChIInChI=1S/C23H26N2O3/c1-3-28-13-7-12-24-23(27)20-15-22(26)25(21-11-5-4-10-19(20)21)16-18-9-6-8-17(2)14-18/h4-6,8-11,14-15H,3,7,12-13,16H2,1-2H3,(H,24,27)
InChIKeyWNEDZEIDKCXBNZ-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.51
Rot. Bonds8

About N-(3-ethoxypropyl)-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide

N-(3-ethoxypropyl)-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide (PubChem CID 5051670) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
PubChem CID5051670
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-(3-ethoxypropyl)-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
SMILESCCOCCCNC(=O)c1cc(=O)n(Cc2cccc(C)c2)c2ccccc12
InChIInChI=1S/C23H26N2O3/c1-3-28-13-7-12-24-23(27)20-15-22(26)25(21-11-5-4-10-19(20)21)16-18-9-6-8-17(2)14-18/h4-6,8-11,14-15H,3,7,12-13,16H2,1-2H3,(H,24,27)
InChIKeyWNEDZEIDKCXBNZ-UHFFFAOYSA-N
XLogP3.51
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide (CID 5051670) is N-(3-ethoxypropyl)-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide is CCOCCCNC(=O)c1cc(=O)n(Cc2cccc(C)c2)c2ccccc12.
What is the InChIKey of N-(3-ethoxypropyl)-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide?
The InChIKey is WNEDZEIDKCXBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-28-13-7-12-24-23(27)20-15-22(26)25(21-11-5-4-10-19(20)21)16-18-9-6-8-17(2)14-18/h4-6,8-11,14-15H,3,7,12-13,16H2,1-2H3,(H,24,27).
What are the key properties of N-(3-ethoxypropyl)-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide?
N-(3-ethoxypropyl)-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 5051670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).