6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide

C31H31N3O4 — CID 46175442

IUPAC6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
SMILESC=C1CN(CCOc2cc3nccc(Oc4ccc5c(C(=O)NC)cccc5c4)c3cc2OC)CC12CC2
InChIInChI=1S/C31H31N3O4/c1-20-18-34(19-31(20)10-11-31)13-14-37-29-17-26-25(16-28(29)36-3)27(9-12-33-26)38-22-7-8-23-21(15-22)5-4-6-24(23)30(35)32-2/h4-9,12,15-17H,1,10-11,13-14,18-19H2,2-3H3,(H,32,35)
InChIKeyDBZDLQWZCADRIM-UHFFFAOYSA-N
MW509.61 g/mol
LogP5.58
Rot. Bonds8

About 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide

6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide (PubChem CID 46175442) has the molecular formula C31H31N3O4 and a molecular weight of 509.61 g/mol. Its IUPAC name is 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
PubChem CID46175442
Molecular FormulaC31H31N3O4
Molecular Weight509.61 g/mol
Exact Mass509.23
IUPAC Name6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
SMILESC=C1CN(CCOc2cc3nccc(Oc4ccc5c(C(=O)NC)cccc5c4)c3cc2OC)CC12CC2
InChIInChI=1S/C31H31N3O4/c1-20-18-34(19-31(20)10-11-31)13-14-37-29-17-26-25(16-28(29)36-3)27(9-12-33-26)38-22-7-8-23-21(15-22)5-4-6-24(23)30(35)32-2/h4-9,12,15-17H,1,10-11,13-14,18-19H2,2-3H3,(H,32,35)
InChIKeyDBZDLQWZCADRIM-UHFFFAOYSA-N
XLogP5.58
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide with MolForge

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Related Compounds

6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 25031916
6-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-N-methylnaphthalene-1-carboxamide
CID 67276786
6-[7-[[1-(hydroxymethyl)cyclopropyl]amino]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 155077042
benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate
CID 24905361
4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxy-N-methylquinoline-6-carboxamide
CID 11316645
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone
CID 157248452
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
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
CID 59813253
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)oxy-N-(2-ethylpyrazol-3-yl)naphthalene-1-carboxamide
CID 59813478

Frequently Asked Questions

What is the IUPAC name of 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide?
The IUPAC name of 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) is 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide.
What is the SMILES notation for 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide?
The canonical SMILES for 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide is C=C1CN(CCOc2cc3nccc(Oc4ccc5c(C(=O)NC)cccc5c4)c3cc2OC)CC12CC2.
What is the InChIKey of 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide?
The InChIKey is DBZDLQWZCADRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O4/c1-20-18-34(19-31(20)10-11-31)13-14-37-29-17-26-25(16-28(29)36-3)27(9-12-33-26)38-22-7-8-23-21(15-22)5-4-6-24(23)30(35)32-2/h4-9,12,15-17H,1,10-11,13-14,18-19H2,2-3H3,(H,32,35).
What are the key properties of 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide?
6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 46175442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).