5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-methylphenyl)-1,6-naphthyridin-4-ol

C32H25FN4O4 — CID 137117529

IUPAC5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-methylphenyl)-1,6-naphthyridin-4-ol
SMILESCOc1cc2nccc(Oc3ccc(Nc4nccc5ncc(-c6ccc(C)cc6)c(O)c45)cc3F)c2cc1OC
InChIInChI=1S/C32H25FN4O4/c1-18-4-6-19(7-5-18)22-17-36-24-10-12-35-32(30(24)31(22)38)37-20-8-9-27(23(33)14-20)41-26-11-13-34-25-16-29(40-3)28(39-2)15-21(25)26/h4-17H,1-3H3,(H,35,37)(H,36,38)
InChIKeyCMPOVCOVTUCNAV-UHFFFAOYSA-N
MW548.57 g/mol
LogP7.55
Rot. Bonds7

About 5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-methylphenyl)-1,6-naphthyridin-4-ol

5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-methylphenyl)-1,6-naphthyridin-4-ol (PubChem CID 137117529) has the molecular formula C32H25FN4O4 and a molecular weight of 548.57 g/mol. Its IUPAC name is 5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-methylphenyl)-1,6-naphthyridin-4-ol.

Molecular Properties

Compound Name5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-methylphenyl)-1,6-naphthyridin-4-ol
PubChem CID137117529
Molecular FormulaC32H25FN4O4
Molecular Weight548.57 g/mol
Exact Mass548.19
IUPAC Name5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-methylphenyl)-1,6-naphthyridin-4-ol
SMILESCOc1cc2nccc(Oc3ccc(Nc4nccc5ncc(-c6ccc(C)cc6)c(O)c45)cc3F)c2cc1OC
InChIInChI=1S/C32H25FN4O4/c1-18-4-6-19(7-5-18)22-17-36-24-10-12-35-32(30(24)31(22)38)37-20-8-9-27(23(33)14-20)41-26-11-13-34-25-16-29(40-3)28(39-2)15-21(25)26/h4-17H,1-3H3,(H,35,37)(H,36,38)
InChIKeyCMPOVCOVTUCNAV-UHFFFAOYSA-N
XLogP7.55
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.57
LogP ≤ 57.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-methylphenyl)-1,6-naphthyridin-4-ol with MolForge

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Related Compounds

Src Kinase Inhibitor I
CID 1474853
10,11-Dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine
CID 17754396
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-amine
CID 5329024
N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5329042
N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine
CID 5329049
6-methoxy-N-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330170
6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330172
N-{5-[(6,7-Dimethoxyquinolin-4-Yl)oxy]pyridin-2-Yl}-1-Methyl-3-Oxo-2-Phenyl-5-(Pyridin-4-Yl)-2,3-Dihydro-1h-Pyrazole-4-Carboxamide
CID 11963346
Dibenzo[c,f][2,7]naphthyridine, 11
CID 17754397
Dibenzo[c,f][2,7]naphthyridine, 17
CID 17754539
Dibenzo[c,f][2,7]naphthyridine, 18
CID 17754582
Dibenzo[c,f][2,7]naphthyridine, 7
CID 17754723

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-methylphenyl)-1,6-naphthyridin-4-ol?
The IUPAC name of 5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-methylphenyl)-1,6-naphthyridin-4-ol (CID 137117529) is 5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-methylphenyl)-1,6-naphthyridin-4-ol.
What is the SMILES notation for 5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-methylphenyl)-1,6-naphthyridin-4-ol?
The canonical SMILES for 5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-methylphenyl)-1,6-naphthyridin-4-ol is COc1cc2nccc(Oc3ccc(Nc4nccc5ncc(-c6ccc(C)cc6)c(O)c45)cc3F)c2cc1OC.
What is the InChIKey of 5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-methylphenyl)-1,6-naphthyridin-4-ol?
The InChIKey is CMPOVCOVTUCNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25FN4O4/c1-18-4-6-19(7-5-18)22-17-36-24-10-12-35-32(30(24)31(22)38)37-20-8-9-27(23(33)14-20)41-26-11-13-34-25-16-29(40-3)28(39-2)15-21(25)26/h4-17H,1-3H3,(H,35,37)(H,36,38).
What are the key properties of 5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-methylphenyl)-1,6-naphthyridin-4-ol?
5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-methylphenyl)-1,6-naphthyridin-4-ol has a molecular weight of 548.57 g/mol, XLogP of 7.55, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-methylphenyl)-1,6-naphthyridin-4-ol is sourced from PubChem (CID 137117529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).