N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide

C23H26N2O4 — CID 665147

IUPACN-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide
SMILESCCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)COc1ccccc1
InChIInChI=1S/C23H26N2O4/c1-3-4-12-25(22(26)16-29-19-8-6-5-7-9-19)15-18-13-17-14-20(28-2)10-11-21(17)24-23(18)27/h5-11,13-14H,3-4,12,15-16H2,1-2H3,(H,24,27)
InChIKeyJFONFEMWFNVEQL-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.74
Rot. Bonds9

About N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide

N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide (PubChem CID 665147) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide
PubChem CID665147
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide
SMILESCCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)COc1ccccc1
InChIInChI=1S/C23H26N2O4/c1-3-4-12-25(22(26)16-29-19-8-6-5-7-9-19)15-18-13-17-14-20(28-2)10-11-21(17)24-23(18)27/h5-11,13-14H,3-4,12,15-16H2,1-2H3,(H,24,27)
InChIKeyJFONFEMWFNVEQL-UHFFFAOYSA-N
XLogP3.74
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide with MolForge

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Related Compounds

N-ethyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide
CID 1396367
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide
CID 665368
N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 2028486
N-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 3932848
2-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylacetamide
CID 664406
1-benzyl-3-butyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3172257
3,4,5-trimethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
CID 3752311
N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 1459113
N,N-dibutyl-2-phenoxyacetamide
CID 4074500
1-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1430936
N-[(2-chlorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459093
N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2067764

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide (CID 665147) is N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide is CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)COc1ccccc1.
What is the InChIKey of N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide?
The InChIKey is JFONFEMWFNVEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-3-4-12-25(22(26)16-29-19-8-6-5-7-9-19)15-18-13-17-14-20(28-2)10-11-21(17)24-23(18)27/h5-11,13-14H,3-4,12,15-16H2,1-2H3,(H,24,27).
What are the key properties of N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide?
N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide has a molecular weight of 394.47 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 665147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).