N-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide

C24H28N2O3 — CID 7678824

IUPACN-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide
SMILESCCCCCC(=O)Nc1c(-c2ccc(OC)cc2)c(=O)c2ccccc2n1CC
InChIInChI=1S/C24H28N2O3/c1-4-6-7-12-21(27)25-24-22(17-13-15-18(29-3)16-14-17)23(28)19-10-8-9-11-20(19)26(24)5-2/h8-11,13-16H,4-7,12H2,1-3H3,(H,25,27)
InChIKeyYHDCDQWQVIZBBJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.22
Rot. Bonds8

About N-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide

N-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide (PubChem CID 7678824) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide.

Molecular Properties

Compound NameN-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide
PubChem CID7678824
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide
SMILESCCCCCC(=O)Nc1c(-c2ccc(OC)cc2)c(=O)c2ccccc2n1CC
InChIInChI=1S/C24H28N2O3/c1-4-6-7-12-21(27)25-24-22(17-13-15-18(29-3)16-14-17)23(28)19-10-8-9-11-20(19)26(24)5-2/h8-11,13-16H,4-7,12H2,1-3H3,(H,25,27)
InChIKeyYHDCDQWQVIZBBJ-UHFFFAOYSA-N
XLogP5.22
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.22
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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Related Compounds

N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide
CID 4870056
N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide
CID 11523434
N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)butanamide
CID 4900233
N-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide
CID 22911269
2-butyl-3,4-bis(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-1-one
CID 135059898
N-(2,4-dimethoxyphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 22330317
1-ethyl-4-hydroxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
CID 162645930
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
CID 71679096
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
CID 30333369
N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
CID 11639466
2-(2-methoxy-9-oxoacridin-10-yl)-N-(3-methoxyphenyl)acetamide
CID 15992736

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide?
The IUPAC name of N-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide (CID 7678824) is N-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide.
What is the SMILES notation for N-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide?
The canonical SMILES for N-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide is CCCCCC(=O)Nc1c(-c2ccc(OC)cc2)c(=O)c2ccccc2n1CC.
What is the InChIKey of N-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide?
The InChIKey is YHDCDQWQVIZBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-4-6-7-12-21(27)25-24-22(17-13-15-18(29-3)16-14-17)23(28)19-10-8-9-11-20(19)26(24)5-2/h8-11,13-16H,4-7,12H2,1-3H3,(H,25,27).
What are the key properties of N-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide?
N-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide has a molecular weight of 392.50 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide is sourced from PubChem (CID 7678824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).