N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide

C39H43N3O5 — CID 59813253

IUPACN-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1cccc2cc(Oc3ccnc4cc(OCCCN5CCCC5)c(OC)cc34)ccc12
InChIInChI=1S/C39H43N3O5/c1-39(2,3)27-12-15-35(44-4)33(23-27)41-38(43)30-11-8-10-26-22-28(13-14-29(26)30)47-34-16-17-40-32-25-37(36(45-5)24-31(32)34)46-21-9-20-42-18-6-7-19-42/h8,10-17,22-25H,6-7,9,18-21H2,1-5H3,(H,41,43)
InChIKeyQEMNZKJHEGDMEF-UHFFFAOYSA-N
MW633.79 g/mol
LogP8.61
Rot. Bonds11

About N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide

N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide (PubChem CID 59813253) has the molecular formula C39H43N3O5 and a molecular weight of 633.79 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
PubChem CID59813253
Molecular FormulaC39H43N3O5
Molecular Weight633.79 g/mol
Exact Mass633.32
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1cccc2cc(Oc3ccnc4cc(OCCCN5CCCC5)c(OC)cc34)ccc12
InChIInChI=1S/C39H43N3O5/c1-39(2,3)27-12-15-35(44-4)33(23-27)41-38(43)30-11-8-10-26-22-28(13-14-29(26)30)47-34-16-17-40-32-25-37(36(45-5)24-31(32)34)46-21-9-20-42-18-6-7-19-42/h8,10-17,22-25H,6-7,9,18-21H2,1-5H3,(H,41,43)
InChIKeyQEMNZKJHEGDMEF-UHFFFAOYSA-N
XLogP8.61
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.79
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide 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-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
CID 59813690
N-[2-(3,3-dimethyl-2-oxocyclobutyl)-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
CID 58732930
6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 59813767
N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide
CID 59813849
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 59813774
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxylic acid
CID 67520430
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-ethylpyrazol-3-yl)naphthalene-1-carboxamide
CID 59813478
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
1-(3,3-dimethylbutyl)-3-[4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]urea;hydrochloride
CID 23022657
N-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 59813573
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide (CID 59813253) is N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc2cc(Oc3ccnc4cc(OCCCN5CCCC5)c(OC)cc34)ccc12.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide?
The InChIKey is QEMNZKJHEGDMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43N3O5/c1-39(2,3)27-12-15-35(44-4)33(23-27)41-38(43)30-11-8-10-26-22-28(13-14-29(26)30)47-34-16-17-40-32-25-37(36(45-5)24-31(32)34)46-21-9-20-42-18-6-7-19-42/h8,10-17,22-25H,6-7,9,18-21H2,1-5H3,(H,41,43).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide?
N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide has a molecular weight of 633.79 g/mol, XLogP of 8.61, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide is sourced from PubChem (CID 59813253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).