3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide

C23H28N2O4 — CID 16927187

IUPAC3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c1
InChIInChI=1S/C23H28N2O4/c1-15(2)9-10-25-21-7-6-18(11-16(21)5-8-22(25)26)24-23(27)17-12-19(28-3)14-20(13-17)29-4/h6-7,11-15H,5,8-10H2,1-4H3,(H,24,27)
InChIKeyBBHDVGJGUPROQL-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.28
Rot. Bonds7

About 3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide

3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide (PubChem CID 16927187) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
PubChem CID16927187
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c1
InChIInChI=1S/C23H28N2O4/c1-15(2)9-10-25-21-7-6-18(11-16(21)5-8-22(25)26)24-23(27)17-12-19(28-3)14-20(13-17)29-4/h6-7,11-15H,5,8-10H2,1-4H3,(H,24,27)
InChIKeyBBHDVGJGUPROQL-UHFFFAOYSA-N
XLogP4.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide
CID 16927194
3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927256
phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate
CID 16927201
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide
CID 16927232
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
CID 16926732
1-(3,4-dichlorophenyl)-3-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 30376866
1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea
CID 30376939
3,5-dimethoxy-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide
CID 16801840
2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927224
3,5-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926766
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide
CID 16927234
2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide
CID 16927276

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide (CID 16927187) is 3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c1.
What is the InChIKey of 3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide?
The InChIKey is BBHDVGJGUPROQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-15(2)9-10-25-21-7-6-18(11-16(21)5-8-22(25)26)24-23(27)17-12-19(28-3)14-20(13-17)29-4/h6-7,11-15H,5,8-10H2,1-4H3,(H,24,27).
What are the key properties of 3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide?
3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide is sourced from PubChem (CID 16927187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).