N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide

C29H24N2O4 — CID 59813522

IUPACN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)Cc5ccccc5)cccc4c3)c2cc1OC
InChIInChI=1S/C29H24N2O4/c1-33-27-17-23-25(18-28(27)34-2)30-14-13-26(23)35-21-11-12-22-20(16-21)9-6-10-24(22)31-29(32)15-19-7-4-3-5-8-19/h3-14,16-18H,15H2,1-2H3,(H,31,32)
InChIKeyLICMNRYWGWZIRR-UHFFFAOYSA-N
MW464.52 g/mol
LogP6.38
Rot. Bonds7

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

N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide (PubChem CID 59813522) 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]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
PubChem CID59813522
Molecular FormulaC29H24N2O4
Molecular Weight464.52 g/mol
Exact Mass464.17
IUPAC NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)Cc5ccccc5)cccc4c3)c2cc1OC
InChIInChI=1S/C29H24N2O4/c1-33-27-17-23-25(18-28(27)34-2)30-14-13-26(23)35-21-11-12-22-20(16-21)9-6-10-24(22)31-29(32)15-19-7-4-3-5-8-19/h3-14,16-18H,15H2,1-2H3,(H,31,32)
InChIKeyLICMNRYWGWZIRR-UHFFFAOYSA-N
XLogP6.38
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea
CID 59813803
1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea
CID 143083833
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3,4-dimethylbenzamide
CID 59813296
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-methylbenzamide
CID 59813260
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide
CID 59813488
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(4-propan-2-ylphenyl)urea
CID 59813824
6-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-N-methylnaphthalene-1-carboxamide
CID 67276786
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-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-2-carboxamide
CID 67520391
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-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide?
The IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide (CID 59813522) is N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide?
The canonical SMILES for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide is COc1cc2nccc(Oc3ccc4c(NC(=O)Cc5ccccc5)cccc4c3)c2cc1OC.
What is the InChIKey of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide?
The InChIKey is LICMNRYWGWZIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O4/c1-33-27-17-23-25(18-28(27)34-2)30-14-13-26(23)35-21-11-12-22-20(16-21)9-6-10-24(22)31-29(32)15-19-7-4-3-5-8-19/h3-14,16-18H,15H2,1-2H3,(H,31,32).
What are the key properties of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide?
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide has a molecular weight of 464.52 g/mol, XLogP of 6.38, 7 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]-2-phenylacetamide is sourced from PubChem (CID 59813522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).