benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate

C34H31N3O6 — CID 24905361

IUPACbenzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate
SMILESCNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(NC(=O)OCc6ccccc6)CC5)c(OC)cc34)ccc12
InChIInChI=1S/C34H31N3O6/c1-35-32(38)26-10-6-9-23-17-24(11-12-25(23)26)43-29-13-16-36-28-19-31(30(40-2)18-27(28)29)42-21-34(14-15-34)37-33(39)41-20-22-7-4-3-5-8-22/h3-13,16-19H,14-15,20-21H2,1-2H3,(H,35,38)(H,37,39)
InChIKeyAWDOLDSJAALBNQ-UHFFFAOYSA-N
MW577.64 g/mol
LogP6.39
Rot. Bonds10

About benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate

benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate (PubChem CID 24905361) has the molecular formula C34H31N3O6 and a molecular weight of 577.64 g/mol. Its IUPAC name is benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate
PubChem CID24905361
Molecular FormulaC34H31N3O6
Molecular Weight577.64 g/mol
Exact Mass577.22
IUPAC Namebenzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate
SMILESCNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(NC(=O)OCc6ccccc6)CC5)c(OC)cc34)ccc12
InChIInChI=1S/C34H31N3O6/c1-35-32(38)26-10-6-9-23-17-24(11-12-25(23)26)43-29-13-16-36-28-19-31(30(40-2)18-27(28)29)42-21-34(14-15-34)37-33(39)41-20-22-7-4-3-5-8-22/h3-13,16-19H,14-15,20-21H2,1-2H3,(H,35,38)(H,37,39)
InChIKeyAWDOLDSJAALBNQ-UHFFFAOYSA-N
XLogP6.39
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.64
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate with MolForge

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Related Compounds

6-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-N-methylnaphthalene-1-carboxamide
CID 67276786
6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 25031916
6-[7-[[1-(hydroxymethyl)cyclopropyl]amino]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 155077042
6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 46175442
2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone
CID 157248452
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxy-N-methylquinoline-6-carboxamide
CID 11316645
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
CID 59813522
(4-methoxyphenyl)methyl N-[1-[[4-[4-[[1-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-3-fluorophenoxy]-6-methoxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate
CID 56933283
[1-[[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinolin-7-yl]oxymethyl]cyclopropyl]carbamic acid
CID 90910783
N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-2-carboxamide
CID 67520391

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate?
The IUPAC name of benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate (CID 24905361) is benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate.
What is the SMILES notation for benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate?
The canonical SMILES for benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate is CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(NC(=O)OCc6ccccc6)CC5)c(OC)cc34)ccc12.
What is the InChIKey of benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate?
The InChIKey is AWDOLDSJAALBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N3O6/c1-35-32(38)26-10-6-9-23-17-24(11-12-25(23)26)43-29-13-16-36-28-19-31(30(40-2)18-27(28)29)42-21-34(14-15-34)37-33(39)41-20-22-7-4-3-5-8-22/h3-13,16-19H,14-15,20-21H2,1-2H3,(H,35,38)(H,37,39).
What are the key properties of benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate?
benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate has a molecular weight of 577.64 g/mol, XLogP of 6.39, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate is sourced from PubChem (CID 24905361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).