6-[[6-methoxy-7-[2-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxymethyl]naphthalene-1-carboxamide

C31H33N3O5 — CID 91049826

IUPAC6-[[6-methoxy-7-[2-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxymethyl]naphthalene-1-carboxamide
SMILESCOc1cc2c(OCc3ccc4c(C(N)=O)cccc4c3)ccnc2cc1OCCN1CC(OC)C2(CC2)C1
InChIInChI=1S/C31H33N3O5/c1-36-27-15-24-25(16-28(27)38-13-12-34-17-29(37-2)31(19-34)9-10-31)33-11-8-26(24)39-18-20-6-7-22-21(14-20)4-3-5-23(22)30(32)35/h3-8,11,14-16,29H,9-10,12-13,17-19H2,1-2H3,(H2,32,35)
InChIKeySYXUINMWOFSTNL-UHFFFAOYSA-N
MW527.62 g/mol
LogP4.56
Rot. Bonds10

About 6-[[6-methoxy-7-[2-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxymethyl]naphthalene-1-carboxamide

6-[[6-methoxy-7-[2-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxymethyl]naphthalene-1-carboxamide (PubChem CID 91049826) has the molecular formula C31H33N3O5 and a molecular weight of 527.62 g/mol. Its IUPAC name is 6-[[6-methoxy-7-[2-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxymethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[[6-methoxy-7-[2-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxymethyl]naphthalene-1-carboxamide
PubChem CID91049826
Molecular FormulaC31H33N3O5
Molecular Weight527.62 g/mol
Exact Mass527.24
IUPAC Name6-[[6-methoxy-7-[2-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxymethyl]naphthalene-1-carboxamide
SMILESCOc1cc2c(OCc3ccc4c(C(N)=O)cccc4c3)ccnc2cc1OCCN1CC(OC)C2(CC2)C1
InChIInChI=1S/C31H33N3O5/c1-36-27-15-24-25(16-28(27)38-13-12-34-17-29(37-2)31(19-34)9-10-31)33-11-8-26(24)39-18-20-6-7-22-21(14-20)4-3-5-23(22)30(32)35/h3-8,11,14-16,29H,9-10,12-13,17-19H2,1-2H3,(H2,32,35)
InChIKeySYXUINMWOFSTNL-UHFFFAOYSA-N
XLogP4.56
TPSA96.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.62
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxymethyl]naphthalene-1-carboxamide
CID 91465554
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
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
6-[7-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 46175197
2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone
CID 157248452
N-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 87829722
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
7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 160978849
6-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-N-methylnaphthalene-1-carboxamide
CID 25031636
benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate
CID 24905361
methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
CID 175032455

Frequently Asked Questions

What is the IUPAC name of 6-[[6-methoxy-7-[2-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxymethyl]naphthalene-1-carboxamide?
The IUPAC name of 6-[[6-methoxy-7-[2-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxymethyl]naphthalene-1-carboxamide (CID 91049826) is 6-[[6-methoxy-7-[2-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxymethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-[[6-methoxy-7-[2-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxymethyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-[[6-methoxy-7-[2-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxymethyl]naphthalene-1-carboxamide is COc1cc2c(OCc3ccc4c(C(N)=O)cccc4c3)ccnc2cc1OCCN1CC(OC)C2(CC2)C1.
What is the InChIKey of 6-[[6-methoxy-7-[2-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxymethyl]naphthalene-1-carboxamide?
The InChIKey is SYXUINMWOFSTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O5/c1-36-27-15-24-25(16-28(27)38-13-12-34-17-29(37-2)31(19-34)9-10-31)33-11-8-26(24)39-18-20-6-7-22-21(14-20)4-3-5-23(22)30(32)35/h3-8,11,14-16,29H,9-10,12-13,17-19H2,1-2H3,(H2,32,35).
What are the key properties of 6-[[6-methoxy-7-[2-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxymethyl]naphthalene-1-carboxamide?
6-[[6-methoxy-7-[2-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxymethyl]naphthalene-1-carboxamide has a molecular weight of 527.62 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-methoxy-7-[2-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxymethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 91049826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).