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

C22H24N2O3 — CID 2067764

IUPACN-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1OC
InChIInChI=1S/C22H24N2O3/c1-3-4-13-24(22(26)18-10-6-8-12-20(18)27-2)15-17-14-16-9-5-7-11-19(16)23-21(17)25/h5-12,14H,3-4,13,15H2,1-2H3,(H,23,25)
InChIKeyOQLBXUJCZZBUIU-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.98
Rot. Bonds7

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

N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 2067764) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID2067764
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1OC
InChIInChI=1S/C22H24N2O3/c1-3-4-13-24(22(26)18-10-6-8-12-20(18)27-2)15-17-14-16-9-5-7-11-19(16)23-21(17)25/h5-12,14H,3-4,13,15H2,1-2H3,(H,23,25)
InChIKeyOQLBXUJCZZBUIU-UHFFFAOYSA-N
XLogP3.98
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4888416
N-(4-ethoxyphenyl)-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1391190
2-methoxy-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3721115
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide
CID 934261
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide
CID 3193952
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 1459246
4-fluoro-N-(2-methoxyethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 4889192
2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1394928
N-ethyl-2-fluoro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 958945
2-chloro-N-(2-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3565532
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 1453577
2-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
CID 1427730

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 2067764) is N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide is CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1OC.
What is the InChIKey of N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is OQLBXUJCZZBUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-4-13-24(22(26)18-10-6-8-12-20(18)27-2)15-17-14-16-9-5-7-11-19(16)23-21(17)25/h5-12,14H,3-4,13,15H2,1-2H3,(H,23,25).
What are the key properties of N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 2067764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).