N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide

C20H18N2O4 — CID 110300545

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
SMILESCc1cc2cc(CC(=O)NCc3ccc4c(c3)OCO4)ccc2[nH]c1=O
InChIInChI=1S/C20H18N2O4/c1-12-6-15-7-13(2-4-16(15)22-20(12)24)9-19(23)21-10-14-3-5-17-18(8-14)26-11-25-17/h2-8H,9-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyZBIXMAKJJKHTCZ-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.42
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide (PubChem CID 110300545) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
PubChem CID110300545
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
SMILESCc1cc2cc(CC(=O)NCc3ccc4c(c3)OCO4)ccc2[nH]c1=O
InChIInChI=1S/C20H18N2O4/c1-12-6-15-7-13(2-4-16(15)22-20(12)24)9-19(23)21-10-14-3-5-17-18(8-14)26-11-25-17/h2-8H,9-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyZBIXMAKJJKHTCZ-UHFFFAOYSA-N
XLogP2.42
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110608974
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 74246041
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939135
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110767985
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112522048
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1H-indole-2-carboxamide
CID 110851797
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide
CID 110666063
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 110390084
2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666083
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204704
3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide
CID 110666107

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide (CID 110300545) is N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide is Cc1cc2cc(CC(=O)NCc3ccc4c(c3)OCO4)ccc2[nH]c1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
The InChIKey is ZBIXMAKJJKHTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-12-6-15-7-13(2-4-16(15)22-20(12)24)9-19(23)21-10-14-3-5-17-18(8-14)26-11-25-17/h2-8H,9-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide has a molecular weight of 350.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide is sourced from PubChem (CID 110300545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).