N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide

C29H24N2O3 — CID 59813544

IUPACN-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide
SMILESCOc1cc2nccc(Cc3ccc4cc(NC(=O)c5ccccc5)ccc4c3)c2cc1OC
InChIInChI=1S/C29H24N2O3/c1-33-27-17-25-23(12-13-30-26(25)18-28(27)34-2)15-19-8-9-22-16-24(11-10-21(22)14-19)31-29(32)20-6-4-3-5-7-20/h3-14,16-18H,15H2,1-2H3,(H,31,32)
InChIKeyGLFRIIOANUBXSW-UHFFFAOYSA-N
MW448.52 g/mol
LogP6.25
Rot. Bonds6

About N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide

N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide (PubChem CID 59813544) has the molecular formula C29H24N2O3 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide.

Molecular Properties

Compound NameN-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide
PubChem CID59813544
Molecular FormulaC29H24N2O3
Molecular Weight448.52 g/mol
Exact Mass448.18
IUPAC NameN-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide
SMILESCOc1cc2nccc(Cc3ccc4cc(NC(=O)c5ccccc5)ccc4c3)c2cc1OC
InChIInChI=1S/C29H24N2O3/c1-33-27-17-25-23(12-13-30-26(25)18-28(27)34-2)15-19-8-9-22-16-24(11-10-21(22)14-19)31-29(32)20-6-4-3-5-7-20/h3-14,16-18H,15H2,1-2H3,(H,31,32)
InChIKeyGLFRIIOANUBXSW-UHFFFAOYSA-N
XLogP6.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen
CID 143083731
1-[4-[(6,7-dimethoxyquinolin-4-yl)methyl]phenyl]-5-phenylpentan-1-one
CID 58065102
N-[6-[(2-aminopyrimidin-4-yl)methyl]naphthalen-2-yl]benzamide
CID 123798696
2-(6,7-dimethoxyquinolin-4-yl)acetic acid
CID 11436553
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-7-methoxynaphthalen-1-yl]benzamide
CID 11294587
2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid
CID 67265062
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 54781369
N-quinolin-6-ylbenzamide
CID 833617
2-[4-[(6,7-dimethoxyquinolin-4-yl)methyl]anilino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 70653401
3-methoxy-4-prop-2-enoxy-N-quinolin-6-ylbenzamide
CID 60555760

Frequently Asked Questions

What is the IUPAC name of N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide?
The IUPAC name of N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide (CID 59813544) is N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide.
What is the SMILES notation for N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide?
The canonical SMILES for N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide is COc1cc2nccc(Cc3ccc4cc(NC(=O)c5ccccc5)ccc4c3)c2cc1OC.
What is the InChIKey of N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide?
The InChIKey is GLFRIIOANUBXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O3/c1-33-27-17-25-23(12-13-30-26(25)18-28(27)34-2)15-19-8-9-22-16-24(11-10-21(22)14-19)31-29(32)20-6-4-3-5-7-20/h3-14,16-18H,15H2,1-2H3,(H,31,32).
What are the key properties of N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide?
N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide has a molecular weight of 448.52 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide is sourced from PubChem (CID 59813544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).