N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide

C25H20N2O5 — CID 16957144

IUPACN-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2c(-c3ccc4c(c3)OCO4)c(=O)c3ccccc3n2C)c1
InChIInChI=1S/C25H20N2O5/c1-27-19-9-4-3-8-18(19)23(28)22(15-10-11-20-21(13-15)32-14-31-20)24(27)26-25(29)16-6-5-7-17(12-16)30-2/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyBPBKTGJKLSQOEU-UHFFFAOYSA-N
MW428.44 g/mol
LogP4.20
Rot. Bonds4

About N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide

N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide (PubChem CID 16957144) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide
PubChem CID16957144
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC NameN-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2c(-c3ccc4c(c3)OCO4)c(=O)c3ccccc3n2C)c1
InChIInChI=1S/C25H20N2O5/c1-27-19-9-4-3-8-18(19)23(28)22(15-10-11-20-21(13-15)32-14-31-20)24(27)26-25(29)16-6-5-7-17(12-16)30-2/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyBPBKTGJKLSQOEU-UHFFFAOYSA-N
XLogP4.20
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 16957143
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide
CID 4903800
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide
CID 4901307
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide
CID 4870056
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
3-(1,3-benzodioxol-5-yl)-10-methylacridin-9-one
CID 24818813
2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide
CID 4903955
N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide
CID 4907437
4-tert-butyl-N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 4903336
N-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-2-yl]-4-tert-butylbenzamide
CID 4909608
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959640
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide
CID 55804746

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide (CID 16957144) is N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2c(-c3ccc4c(c3)OCO4)c(=O)c3ccccc3n2C)c1.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide?
The InChIKey is BPBKTGJKLSQOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c1-27-19-9-4-3-8-18(19)23(28)22(15-10-11-20-21(13-15)32-14-31-20)24(27)26-25(29)16-6-5-7-17(12-16)30-2/h3-13H,14H2,1-2H3,(H,26,29).
What are the key properties of N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide?
N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide has a molecular weight of 428.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 16957144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).