N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen

C33H37N3O4 — CID 143083731

IUPACN-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen
SMILESCC.COc1cc2c(Oc3ccc4cc(NC(=O)c5ccccc5)ccc4c3)ccnc2cc1OCCN(C)C.[H][H]
InChIInChI=1S/C31H29N3O4.C2H6.H2/c1-34(2)15-16-37-30-20-27-26(19-29(30)36-3)28(13-14-32-27)38-25-12-10-22-17-24(11-9-23(22)18-25)33-31(35)21-7-5-4-6-8-21;1-2;/h4-14,17-20H,15-16H2,1-3H3,(H,33,35);1-2H3;1H
InChIKeyRKWNAHYEHOVGMI-UHFFFAOYSA-N
MW539.68 g/mol
LogP7.65
Rot. Bonds9

About N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen

N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen (PubChem CID 143083731) has the molecular formula C33H37N3O4 and a molecular weight of 539.68 g/mol. Its IUPAC name is N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen
PubChem CID143083731
Molecular FormulaC33H37N3O4
Molecular Weight539.68 g/mol
Exact Mass539.28
IUPAC NameN-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen
SMILESCC.COc1cc2c(Oc3ccc4cc(NC(=O)c5ccccc5)ccc4c3)ccnc2cc1OCCN(C)C.[H][H]
InChIInChI=1S/C31H29N3O4.C2H6.H2/c1-34(2)15-16-37-30-20-27-26(19-29(30)36-3)28(13-14-32-27)38-25-12-10-22-17-24(11-9-23(22)18-25)33-31(35)21-7-5-4-6-8-21;1-2;/h4-14,17-20H,15-16H2,1-3H3,(H,33,35);1-2H3;1H
InChIKeyRKWNAHYEHOVGMI-UHFFFAOYSA-N
XLogP7.65
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen with MolForge

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Related Compounds

2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid
CID 67265062
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide
CID 59813597
N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide
CID 59813544
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide
CID 59813624
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 59813538
N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-2-carboxamide
CID 67520391
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide
CID 59813761
N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide
CID 59813469
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide
CID 59813656

Frequently Asked Questions

What is the IUPAC name of N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen?
The IUPAC name of N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen (CID 143083731) is N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen.
What is the SMILES notation for N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen?
The canonical SMILES for N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen is CC.COc1cc2c(Oc3ccc4cc(NC(=O)c5ccccc5)ccc4c3)ccnc2cc1OCCN(C)C.[H][H].
What is the InChIKey of N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen?
The InChIKey is RKWNAHYEHOVGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O4.C2H6.H2/c1-34(2)15-16-37-30-20-27-26(19-29(30)36-3)28(13-14-32-27)38-25-12-10-22-17-24(11-9-23(22)18-25)33-31(35)21-7-5-4-6-8-21;1-2;/h4-14,17-20H,15-16H2,1-3H3,(H,33,35);1-2H3;1H.
What are the key properties of N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen?
N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen has a molecular weight of 539.68 g/mol, XLogP of 7.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen is sourced from PubChem (CID 143083731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).