3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide

C20H20N2O4 — CID 110666084

IUPAC3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc3[nH]c(=O)c(C)cc3c2)cc1OC
InChIInChI=1S/C20H20N2O4/c1-12-8-15-9-13(4-6-16(15)22-19(12)23)11-21-20(24)14-5-7-17(25-2)18(10-14)26-3/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyKHBLLLFKMZAXBB-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.78
Rot. Bonds5

About 3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide

3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide (PubChem CID 110666084) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
PubChem CID110666084
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc3[nH]c(=O)c(C)cc3c2)cc1OC
InChIInChI=1S/C20H20N2O4/c1-12-8-15-9-13(4-6-16(15)22-19(12)23)11-21-20(24)14-5-7-17(25-2)18(10-14)26-3/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyKHBLLLFKMZAXBB-UHFFFAOYSA-N
XLogP2.78
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666082
2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666083
3-methoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666080
4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666046
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 110666044
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 4182872
3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide
CID 110666107
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzenesulfonamide
CID 110666142
N-[4-(2-methoxyphenyl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110616089

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide (CID 110666084) is 3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide is COc1ccc(C(=O)NCc2ccc3[nH]c(=O)c(C)cc3c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide?
The InChIKey is KHBLLLFKMZAXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-12-8-15-9-13(4-6-16(15)22-19(12)23)11-21-20(24)14-5-7-17(25-2)18(10-14)26-3/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide?
3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide has a molecular weight of 352.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide is sourced from PubChem (CID 110666084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).