N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide

C29H22N2O6 — CID 59813656

IUPACN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4cc(NC(=O)c5cccc6c5OCO6)ccc4c3)c2cc1OC
InChIInChI=1S/C29H22N2O6/c1-33-26-14-22-23(15-27(26)34-2)30-11-10-24(22)37-20-9-7-17-12-19(8-6-18(17)13-20)31-29(32)21-4-3-5-25-28(21)36-16-35-25/h3-15H,16H2,1-2H3,(H,31,32)
InChIKeyDVOYYMCCEFFRRI-UHFFFAOYSA-N
MW494.50 g/mol
LogP6.18
Rot. Bonds6

About N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide

N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide (PubChem CID 59813656) has the molecular formula C29H22N2O6 and a molecular weight of 494.50 g/mol. Its IUPAC name is N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide
PubChem CID59813656
Molecular FormulaC29H22N2O6
Molecular Weight494.50 g/mol
Exact Mass494.15
IUPAC NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4cc(NC(=O)c5cccc6c5OCO6)ccc4c3)c2cc1OC
InChIInChI=1S/C29H22N2O6/c1-33-26-14-22-23(15-27(26)34-2)30-11-10-24(22)37-20-9-7-17-12-19(8-6-18(17)13-20)31-29(32)21-4-3-5-25-28(21)36-16-35-25/h3-15H,16H2,1-2H3,(H,31,32)
InChIKeyDVOYYMCCEFFRRI-UHFFFAOYSA-N
XLogP6.18
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.50
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide
CID 59813624
2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide
CID 59813761
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 59813538
N-[6-(1,3-benzodioxole-4-carbonylamino)anthracen-2-yl]-1,3-benzodioxole-4-carboxamide
CID 101095834
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide
CID 59813597
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 59813683
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11376060
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 175933294
N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen
CID 143083731
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11387053

Frequently Asked Questions

What is the IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide?
The IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide (CID 59813656) is N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide.
What is the SMILES notation for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide?
The canonical SMILES for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide is COc1cc2nccc(Oc3ccc4cc(NC(=O)c5cccc6c5OCO6)ccc4c3)c2cc1OC.
What is the InChIKey of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide?
The InChIKey is DVOYYMCCEFFRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O6/c1-33-26-14-22-23(15-27(26)34-2)30-11-10-24(22)37-20-9-7-17-12-19(8-6-18(17)13-20)31-29(32)21-4-3-5-25-28(21)36-16-35-25/h3-15H,16H2,1-2H3,(H,31,32).
What are the key properties of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide?
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide has a molecular weight of 494.50 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide is sourced from PubChem (CID 59813656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).