N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide

C26H22N2O4 — CID 3308985

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc4c(c3)OCCO4)c2C)cc1
InChIInChI=1S/C26H22N2O4/c1-16-24(26(29)27-18-9-12-22-23(15-18)32-14-13-31-22)20-5-3-4-6-21(20)28-25(16)17-7-10-19(30-2)11-8-17/h3-12,15H,13-14H2,1-2H3,(H,27,29)
InChIKeyGNECOYGYKLISDL-UHFFFAOYSA-N
MW426.47 g/mol
LogP5.24
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide (PubChem CID 3308985) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
PubChem CID3308985
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc4c(c3)OCCO4)c2C)cc1
InChIInChI=1S/C26H22N2O4/c1-16-24(26(29)27-18-9-12-22-23(15-18)32-14-13-31-22)20-5-3-4-6-21(20)28-25(16)17-7-10-19(30-2)11-8-17/h3-12,15H,13-14H2,1-2H3,(H,27,29)
InChIKeyGNECOYGYKLISDL-UHFFFAOYSA-N
XLogP5.24
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4115326
2-(4-methoxyphenyl)-3-methyl-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 3479572
3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4642101
N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4608973
2-(4-methoxyphenyl)-3-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4185870
N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3681950
N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 1291424
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033050
2-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 2259444
N-(4-bromo-2-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4617189
N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 3279592
4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid
CID 3395284

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide (CID 3308985) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide is COc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc4c(c3)OCCO4)c2C)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The InChIKey is GNECOYGYKLISDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-16-24(26(29)27-18-9-12-22-23(15-18)32-14-13-31-22)20-5-3-4-6-21(20)28-25(16)17-7-10-19(30-2)11-8-17/h3-12,15H,13-14H2,1-2H3,(H,27,29).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 3308985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).