N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide

C29H24N2O4 — CID 59813260

IUPACN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(C)c5)cccc4c3)c2cc1OC
InChIInChI=1S/C29H24N2O4/c1-18-6-4-8-20(14-18)29(32)31-24-9-5-7-19-15-21(10-11-22(19)24)35-26-12-13-30-25-17-28(34-3)27(33-2)16-23(25)26/h4-17H,1-3H3,(H,31,32)
InChIKeySOWWDNBZGXVRHZ-UHFFFAOYSA-N
MW464.52 g/mol
LogP6.76
Rot. Bonds6

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

N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide (PubChem CID 59813260) has the molecular formula C29H24N2O4 and a molecular weight of 464.52 g/mol. Its IUPAC name is N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide
PubChem CID59813260
Molecular FormulaC29H24N2O4
Molecular Weight464.52 g/mol
Exact Mass464.17
IUPAC NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(C)c5)cccc4c3)c2cc1OC
InChIInChI=1S/C29H24N2O4/c1-18-6-4-8-20(14-18)29(32)31-24-9-5-7-19-15-21(10-11-22(19)24)35-26-12-13-30-25-17-28(34-3)27(33-2)16-23(25)26/h4-17H,1-3H3,(H,31,32)
InChIKeySOWWDNBZGXVRHZ-UHFFFAOYSA-N
XLogP6.76
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]pyridine-3-carboxamide
CID 59813488
4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide
CID 59813443
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide
CID 59813855
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-7-methoxynaphthalen-1-yl]benzamide
CID 11294587
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
CID 59813522
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea
CID 59813803
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(4-propan-2-ylphenyl)urea
CID 59813824
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
1-(4-tert-butylphenyl)-3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]thiourea
CID 59813737
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 59813683

Frequently Asked Questions

What is the IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide?
The IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide (CID 59813260) is N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide.
What is the SMILES notation for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide?
The canonical SMILES for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide is COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(C)c5)cccc4c3)c2cc1OC.
What is the InChIKey of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide?
The InChIKey is SOWWDNBZGXVRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O4/c1-18-6-4-8-20(14-18)29(32)31-24-9-5-7-19-15-21(10-11-22(19)24)35-26-12-13-30-25-17-28(34-3)27(33-2)16-23(25)26/h4-17H,1-3H3,(H,31,32).
What are the key properties of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide?
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide has a molecular weight of 464.52 g/mol, XLogP of 6.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide is sourced from PubChem (CID 59813260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).