N-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide

C24H28N2O4 — CID 3932848

IUPACN-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
SMILESCCCCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C24H28N2O4/c1-4-5-12-26(23(27)13-17-6-9-20(29-2)10-7-17)16-19-14-18-8-11-21(30-3)15-22(18)25-24(19)28/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,25,28)
InChIKeyMRHGJUVHUBWLRV-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.92
Rot. Bonds9

About N-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide

N-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 3932848) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID3932848
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC NameN-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
SMILESCCCCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C24H28N2O4/c1-4-5-12-26(23(27)13-17-6-9-20(29-2)10-7-17)16-19-14-18-8-11-21(30-3)15-22(18)25-24(19)28/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,25,28)
InChIKeyMRHGJUVHUBWLRV-UHFFFAOYSA-N
XLogP3.92
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 3430411
N-butyl-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
CID 110298878
3-butyl-1-(3-hydroxypropyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3172184
N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide
CID 665147
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylfuran-2-carboxamide
CID 1421969
N-ethyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide
CID 1396367
N-ethyl-3-methoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1427703
N-[(4-methoxyphenyl)methyl]-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3193877
N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 1459113
3-(4-fluorophenyl)-1-(3-hydroxypropyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 5014815
2-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324772
N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 1427665

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide (CID 3932848) is N-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide is CCCCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=O)Cc1ccc(OC)cc1.
What is the InChIKey of N-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is MRHGJUVHUBWLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-4-5-12-26(23(27)13-17-6-9-20(29-2)10-7-17)16-19-14-18-8-11-21(30-3)15-22(18)25-24(19)28/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,25,28).
What are the key properties of N-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide?
N-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 408.50 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3932848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).