N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide

C29H20F2N2O6 — CID 59813683

IUPACN-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5cccc6c5OC(F)(F)O6)cccc4c3)c2cc1OC
InChIInChI=1S/C29H20F2N2O6/c1-35-25-14-20-22(15-26(25)36-2)32-12-11-23(20)37-17-9-10-18-16(13-17)5-3-6-19(18)28(34)33-21-7-4-8-24-27(21)39-29(30,31)38-24/h3-15H,1-2H3,(H,33,34)
InChIKeyIRHZGZPSCQDLMB-UHFFFAOYSA-N
MW530.48 g/mol
LogP6.77
Rot. Bonds6

About N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide

N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide (PubChem CID 59813683) has the molecular formula C29H20F2N2O6 and a molecular weight of 530.48 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
PubChem CID59813683
Molecular FormulaC29H20F2N2O6
Molecular Weight530.48 g/mol
Exact Mass530.13
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5cccc6c5OC(F)(F)O6)cccc4c3)c2cc1OC
InChIInChI=1S/C29H20F2N2O6/c1-35-25-14-20-22(15-26(25)36-2)32-12-11-23(20)37-17-9-10-18-16(13-17)5-3-6-19(18)28(34)33-21-7-4-8-24-27(21)39-29(30,31)38-24/h3-15H,1-2H3,(H,33,34)
InChIKeyIRHZGZPSCQDLMB-UHFFFAOYSA-N
XLogP6.77
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.48
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 59813889
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-ethylpyrazol-3-yl)naphthalene-1-carboxamide
CID 59813478
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide
CID 59813443
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3,4-dimethylbenzamide
CID 59813296
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide
CID 59813260
6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 25031916
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide
CID 59813488
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide
CID 59813772
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea
CID 59813803
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide
CID 59813855

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide (CID 59813683) is N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5cccc6c5OC(F)(F)O6)cccc4c3)c2cc1OC.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The InChIKey is IRHZGZPSCQDLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F2N2O6/c1-35-25-14-20-22(15-26(25)36-2)32-12-11-23(20)37-17-9-10-18-16(13-17)5-3-6-19(18)28(34)33-21-7-4-8-24-27(21)39-29(30,31)38-24/h3-15H,1-2H3,(H,33,34).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide has a molecular weight of 530.48 g/mol, XLogP of 6.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide is sourced from PubChem (CID 59813683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).