8-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one

C31H22F2N4O4 — CID 71510856

IUPAC8-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one
SMILESCOc1cc2nccc(Oc3ccc(Nc4nccc5ccn(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OC
InChIInChI=1S/C31H22F2N4O4/c1-39-27-16-22-24(17-28(27)40-2)34-13-10-25(22)41-26-8-5-20(15-23(26)33)36-30-29-18(9-12-35-30)11-14-37(31(29)38)21-6-3-19(32)4-7-21/h3-17H,1-2H3,(H,35,36)
InChIKeyZIVCABRRJUCJPK-UHFFFAOYSA-N
MW552.54 g/mol
LogP6.77
Rot. Bonds7

About 8-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one

8-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one (PubChem CID 71510856) has the molecular formula C31H22F2N4O4 and a molecular weight of 552.54 g/mol. Its IUPAC name is 8-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one
PubChem CID71510856
Molecular FormulaC31H22F2N4O4
Molecular Weight552.54 g/mol
Exact Mass552.16
IUPAC Name8-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one
SMILESCOc1cc2nccc(Oc3ccc(Nc4nccc5ccn(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OC
InChIInChI=1S/C31H22F2N4O4/c1-39-27-16-22-24(17-28(27)40-2)34-13-10-25(22)41-26-8-5-20(15-23(26)33)36-30-29-18(9-12-35-30)11-14-37(31(29)38)21-6-3-19(32)4-7-21/h3-17H,1-2H3,(H,35,36)
InChIKeyZIVCABRRJUCJPK-UHFFFAOYSA-N
XLogP6.77
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.54
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one 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

Cabozantinib
CID 25102847
Foretinib
CID 42642645
Cep-40783
CID 71576419
3-{4-[(6,7-Dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1-(2-phenylacetyl)thiourea
CID 9870238
1-Imidazolidinecarboxamide, N-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenyl-
CID 23652906
Axl-IN-13
CID 139533572
4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-morpholino)propoxy)quinazoline
CID 9914412
Ono-7475
CID 90645873
Ki-11502
CID 11554659
N-[5-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-2-yl]benzamide
CID 23646072
N-{4-[(6,7-Dimethoxyquinolin-4-Yl)oxy]-3-Fluorophenyl}-1,5-Dimethyl-3-Oxo-2-Phenyl-2,3-Dihydro-1h-Pyrazole-4-Carboxamide
CID 56604907
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

Frequently Asked Questions

What is the IUPAC name of 8-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one?
The IUPAC name of 8-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one (CID 71510856) is 8-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one is COc1cc2nccc(Oc3ccc(Nc4nccc5ccn(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OC.
What is the InChIKey of 8-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one?
The InChIKey is ZIVCABRRJUCJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22F2N4O4/c1-39-27-16-22-24(17-28(27)40-2)34-13-10-25(22)41-26-8-5-20(15-23(26)33)36-30-29-18(9-12-35-30)11-14-37(31(29)38)21-6-3-19(32)4-7-21/h3-17H,1-2H3,(H,35,36).
What are the key properties of 8-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one?
8-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one has a molecular weight of 552.54 g/mol, XLogP of 6.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 71510856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).