N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide

C27H19F2N3O4 — CID 59813469

IUPACN-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4ncc(C(=O)Nc5ccc(F)c(F)c5)cc4c3)c2cc1OC
InChIInChI=1S/C27H19F2N3O4/c1-34-25-12-19-23(13-26(25)35-2)30-8-7-24(19)36-18-4-6-22-15(10-18)9-16(14-31-22)27(33)32-17-3-5-20(28)21(29)11-17/h3-14H,1-2H3,(H,32,33)
InChIKeyUAGWRDKHFOEQPP-UHFFFAOYSA-N
MW487.46 g/mol
LogP6.12
Rot. Bonds6

About N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide

N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide (PubChem CID 59813469) has the molecular formula C27H19F2N3O4 and a molecular weight of 487.46 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide
PubChem CID59813469
Molecular FormulaC27H19F2N3O4
Molecular Weight487.46 g/mol
Exact Mass487.13
IUPAC NameN-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4ncc(C(=O)Nc5ccc(F)c(F)c5)cc4c3)c2cc1OC
InChIInChI=1S/C27H19F2N3O4/c1-34-25-12-19-23(13-26(25)35-2)30-8-7-24(19)36-18-4-6-22-15(10-18)9-16(14-31-22)27(33)32-17-3-5-20(28)21(29)11-17/h3-14H,1-2H3,(H,32,33)
InChIKeyUAGWRDKHFOEQPP-UHFFFAOYSA-N
XLogP6.12
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.46
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-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

6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid
CID 59813662
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11387053
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide
CID 59813624
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide
CID 59813761
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11376060
5-chloro-N-[7-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-2-yl]pyridine-3-carboxamide
CID 143083672
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 59813538
N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen
CID 143083731
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide (CID 59813469) is N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide is COc1cc2nccc(Oc3ccc4ncc(C(=O)Nc5ccc(F)c(F)c5)cc4c3)c2cc1OC.
What is the InChIKey of N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide?
The InChIKey is UAGWRDKHFOEQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F2N3O4/c1-34-25-12-19-23(13-26(25)35-2)30-8-7-24(19)36-18-4-6-22-15(10-18)9-16(14-31-22)27(33)32-17-3-5-20(28)21(29)11-17/h3-14H,1-2H3,(H,32,33).
What are the key properties of N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide?
N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide has a molecular weight of 487.46 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide is sourced from PubChem (CID 59813469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).