N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-naphthalen-2-ylacetamide

C29H24N2O4 — CID 152713474

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-naphthalen-2-ylacetamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Cc4ccc5ccccc5c4)cc3)c2cc1OC
InChIInChI=1S/C29H24N2O4/c1-33-27-17-24-25(18-28(27)34-2)30-14-13-26(24)35-23-11-9-22(10-12-23)31-29(32)16-19-7-8-20-5-3-4-6-21(20)15-19/h3-15,17-18H,16H2,1-2H3,(H,31,32)
InChIKeyZUCHBSMXYSTCPR-UHFFFAOYSA-N
MW464.52 g/mol
LogP6.38
Rot. Bonds7

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-naphthalen-2-ylacetamide

N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-naphthalen-2-ylacetamide (PubChem CID 152713474) has the molecular formula C29H24N2O4 and a molecular weight of 464.52 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-naphthalen-2-ylacetamide
PubChem CID152713474
Molecular FormulaC29H24N2O4
Molecular Weight464.52 g/mol
Exact Mass464.17
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-naphthalen-2-ylacetamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Cc4ccc5ccccc5c4)cc3)c2cc1OC
InChIInChI=1S/C29H24N2O4/c1-33-27-17-24-25(18-28(27)34-2)30-14-13-26(24)35-23-11-9-22(10-12-23)31-29(32)16-19-7-8-20-5-3-4-6-21(20)15-19/h3-15,17-18H,16H2,1-2H3,(H,31,32)
InChIKeyZUCHBSMXYSTCPR-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-naphthalen-2-ylacetamide (CID 152713474) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-naphthalen-2-ylacetamide is COc1cc2nccc(Oc3ccc(NC(=O)Cc4ccc5ccccc5c4)cc3)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-naphthalen-2-ylacetamide?
The InChIKey is ZUCHBSMXYSTCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O4/c1-33-27-17-24-25(18-28(27)34-2)30-14-13-26(24)35-23-11-9-22(10-12-23)31-29(32)16-19-7-8-20-5-3-4-6-21(20)15-19/h3-15,17-18H,16H2,1-2H3,(H,31,32).
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-naphthalen-2-ylacetamide?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-naphthalen-2-ylacetamide 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-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 152713474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).