N-[2-(4-ethylphenyl)ethyl]-1-[2-(4-formylphenyl)acetyl]-2-oxoquinoline-3-carboxamide

C29H26N2O4 — CID 118001876

IUPACN-[2-(4-ethylphenyl)ethyl]-1-[2-(4-formylphenyl)acetyl]-2-oxoquinoline-3-carboxamide
SMILESCCc1ccc(CCNC(=O)c2cc3ccccc3n(C(=O)Cc3ccc(C=O)cc3)c2=O)cc1
InChIInChI=1S/C29H26N2O4/c1-2-20-7-9-21(10-8-20)15-16-30-28(34)25-18-24-5-3-4-6-26(24)31(29(25)35)27(33)17-22-11-13-23(19-32)14-12-22/h3-14,18-19H,2,15-17H2,1H3,(H,30,34)
InChIKeyDKRNXWVZALTQPD-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.23
Rot. Bonds8

About N-[2-(4-ethylphenyl)ethyl]-1-[2-(4-formylphenyl)acetyl]-2-oxoquinoline-3-carboxamide

N-[2-(4-ethylphenyl)ethyl]-1-[2-(4-formylphenyl)acetyl]-2-oxoquinoline-3-carboxamide (PubChem CID 118001876) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)ethyl]-1-[2-(4-formylphenyl)acetyl]-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)ethyl]-1-[2-(4-formylphenyl)acetyl]-2-oxoquinoline-3-carboxamide
PubChem CID118001876
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC NameN-[2-(4-ethylphenyl)ethyl]-1-[2-(4-formylphenyl)acetyl]-2-oxoquinoline-3-carboxamide
SMILESCCc1ccc(CCNC(=O)c2cc3ccccc3n(C(=O)Cc3ccc(C=O)cc3)c2=O)cc1
InChIInChI=1S/C29H26N2O4/c1-2-20-7-9-21(10-8-20)15-16-30-28(34)25-18-24-5-3-4-6-26(24)31(29(25)35)27(33)17-22-11-13-23(19-32)14-12-22/h3-14,18-19H,2,15-17H2,1H3,(H,30,34)
InChIKeyDKRNXWVZALTQPD-UHFFFAOYSA-N
XLogP4.23
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-formylphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]-2-oxoquinoline-3-carboxamide
CID 118001816
N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 142731963
4-formyl-N-(2-phenylethyl)benzamide
CID 12773386
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-1-ethyl-2-oxoquinoline-3-carboxamide
CID 13124471
1-butyl-5-ethyl-2-oxo-N-(2-phenylethyl)-6-propylpyridine-3-carboxamide
CID 23587815
N-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide
CID 118001820
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 123844752
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 69441638
N-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide
CID 34924999
N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide
CID 118001743
N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide
CID 87952019

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)ethyl]-1-[2-(4-formylphenyl)acetyl]-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-[2-(4-ethylphenyl)ethyl]-1-[2-(4-formylphenyl)acetyl]-2-oxoquinoline-3-carboxamide (CID 118001876) is N-[2-(4-ethylphenyl)ethyl]-1-[2-(4-formylphenyl)acetyl]-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)ethyl]-1-[2-(4-formylphenyl)acetyl]-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[2-(4-ethylphenyl)ethyl]-1-[2-(4-formylphenyl)acetyl]-2-oxoquinoline-3-carboxamide is CCc1ccc(CCNC(=O)c2cc3ccccc3n(C(=O)Cc3ccc(C=O)cc3)c2=O)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)ethyl]-1-[2-(4-formylphenyl)acetyl]-2-oxoquinoline-3-carboxamide?
The InChIKey is DKRNXWVZALTQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4/c1-2-20-7-9-21(10-8-20)15-16-30-28(34)25-18-24-5-3-4-6-26(24)31(29(25)35)27(33)17-22-11-13-23(19-32)14-12-22/h3-14,18-19H,2,15-17H2,1H3,(H,30,34).
What are the key properties of N-[2-(4-ethylphenyl)ethyl]-1-[2-(4-formylphenyl)acetyl]-2-oxoquinoline-3-carboxamide?
N-[2-(4-ethylphenyl)ethyl]-1-[2-(4-formylphenyl)acetyl]-2-oxoquinoline-3-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)ethyl]-1-[2-(4-formylphenyl)acetyl]-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 118001876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).