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

C29H24N2O4 — CID 44569268

IUPACN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-phenylacetamide
SMILESCOc1cc2nccc(Oc3ccc4cc(NC(=O)Cc5ccccc5)ccc4c3)c2cc1OC
InChIInChI=1S/C29H24N2O4/c1-33-27-17-24-25(18-28(27)34-2)30-13-12-26(24)35-23-11-9-20-15-22(10-8-21(20)16-23)31-29(32)14-19-6-4-3-5-7-19/h3-13,15-18H,14H2,1-2H3,(H,31,32)
InChIKeyDGLTXEQNNUCPHH-UHFFFAOYSA-N
MW464.52 g/mol
LogP6.38
Rot. Bonds7

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

N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-phenylacetamide (PubChem CID 44569268) 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-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-phenylacetamide
PubChem CID44569268
Molecular FormulaC29H24N2O4
Molecular Weight464.52 g/mol
Exact Mass464.17
IUPAC NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-phenylacetamide
SMILESCOc1cc2nccc(Oc3ccc4cc(NC(=O)Cc5ccccc5)ccc4c3)c2cc1OC
InChIInChI=1S/C29H24N2O4/c1-33-27-17-24-25(18-28(27)34-2)30-13-12-26(24)35-23-11-9-20-15-22(10-8-21(20)16-23)31-29(32)14-19-6-4-3-5-7-19/h3-13,15-18H,14H2,1-2H3,(H,31,32)
InChIKeyDGLTXEQNNUCPHH-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-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-phenylacetamide?
The IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-phenylacetamide (CID 44569268) is N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-phenylacetamide is COc1cc2nccc(Oc3ccc4cc(NC(=O)Cc5ccccc5)ccc4c3)c2cc1OC.
What is the InChIKey of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-phenylacetamide?
The InChIKey is DGLTXEQNNUCPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O4/c1-33-27-17-24-25(18-28(27)34-2)30-13-12-26(24)35-23-11-9-20-15-22(10-8-21(20)16-23)31-29(32)14-19-6-4-3-5-7-19/h3-13,15-18H,14H2,1-2H3,(H,31,32).
What are the key properties of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-phenylacetamide?
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-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-2-yl]-2-phenylacetamide is sourced from PubChem (CID 44569268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).