2-(3-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-4-carboxamide

C40H36ClFN4O4 — CID 71697565

IUPAC2-(3-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-4-carboxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)c4cc(-c5cccc(Cl)c5)nc5ccccc45)cc3F)ccnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C40H36ClFN4O4/c1-48-38-24-31-35(25-39(38)49-20-8-19-46-17-5-2-6-18-46)43-16-15-36(31)50-37-14-13-28(22-32(37)42)44-40(47)30-23-34(26-9-7-10-27(41)21-26)45-33-12-4-3-11-29(30)33/h3-4,7,9-16,21-25H,2,5-6,8,17-20H2,1H3,(H,44,47)
InChIKeyRLOWINIQUHNWJO-UHFFFAOYSA-N
MW691.20 g/mol
LogP9.55
Rot. Bonds11

About 2-(3-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-4-carboxamide

2-(3-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-4-carboxamide (PubChem CID 71697565) has the molecular formula C40H36ClFN4O4 and a molecular weight of 691.20 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-4-carboxamide
PubChem CID71697565
Molecular FormulaC40H36ClFN4O4
Molecular Weight691.20 g/mol
Exact Mass690.24
IUPAC Name2-(3-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-4-carboxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)c4cc(-c5cccc(Cl)c5)nc5ccccc45)cc3F)ccnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C40H36ClFN4O4/c1-48-38-24-31-35(25-39(38)49-20-8-19-46-17-5-2-6-18-46)43-16-15-36(31)50-37-14-13-28(22-32(37)42)44-40(47)30-23-34(26-9-7-10-27(41)21-26)45-33-12-4-3-11-29(30)33/h3-4,7,9-16,21-25H,2,5-6,8,17-20H2,1H3,(H,44,47)
InChIKeyRLOWINIQUHNWJO-UHFFFAOYSA-N
XLogP9.55
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.20
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(3-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-4-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-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
CID 24757938
2-(4-Chloro-3-(trifluoromethyl)phenyl)-N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)phenyl)acetamide
CID 139030518
2-Benzyl-5-(3-Fluoro-4-{[6-Methoxy-7-(3-Morpholin-4-Ylpropoxy)quinolin-4-Yl]oxy}phenyl)-3-Methylpyrimidin-4(3h)-One
CID 11650194
2-Benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3,4-dihydropyrimidin-4-one
CID 11857874
2-Benzyl-5-[3-fluoro-4-({6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl}oxy)phenyl]-3-methyl-3,4-dihydropyrimidin-4-one
CID 11858284
2-Benzyl-5-[4-({7-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methoxyquinolin-4-yl}oxy)-3-fluorophenyl]-3-methyl-3,4-dihydropyrimidin-4-one
CID 11858367
5-[3-Fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinolin-4-yl}oxy)phenyl]-3-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydropyrimidin-4-one
CID 11858368
2-Benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-6-methyl-3,4-dihydropyrimidin-4-one
CID 135511699
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 11156617
N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11329617
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide
CID 11362483
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11421509

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-4-carboxamide (CID 71697565) is 2-(3-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-4-carboxamide is COc1cc2c(Oc3ccc(NC(=O)c4cc(-c5cccc(Cl)c5)nc5ccccc45)cc3F)ccnc2cc1OCCCN1CCCCC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-4-carboxamide?
The InChIKey is RLOWINIQUHNWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36ClFN4O4/c1-48-38-24-31-35(25-39(38)49-20-8-19-46-17-5-2-6-18-46)43-16-15-36(31)50-37-14-13-28(22-32(37)42)44-40(47)30-23-34(26-9-7-10-27(41)21-26)45-33-12-4-3-11-29(30)33/h3-4,7,9-16,21-25H,2,5-6,8,17-20H2,1H3,(H,44,47).
What are the key properties of 2-(3-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-4-carboxamide?
2-(3-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-4-carboxamide has a molecular weight of 691.20 g/mol, XLogP of 9.55, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-4-carboxamide is sourced from PubChem (CID 71697565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).