5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1,6-naphthyridin-4-ol

C37H34F2N6O4 — CID 137117537

IUPAC5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1,6-naphthyridin-4-ol
SMILESCOc1cc2ncnc(Oc3ccc(Nc4nccc5ncc(-c6ccc(F)cc6)c(O)c45)cc3F)c2cc1OCCCN1CCCCC1
InChIInChI=1S/C37H34F2N6O4/c1-47-32-20-30-26(19-33(32)48-17-5-16-45-14-3-2-4-15-45)37(43-22-42-30)49-31-11-10-25(18-28(31)39)44-36-34-29(12-13-40-36)41-21-27(35(34)46)23-6-8-24(38)9-7-23/h6-13,18-22H,2-5,14-17H2,1H3,(H,40,44)(H,41,46)
InChIKeyWEHWZYPLPHDXQC-UHFFFAOYSA-N
MW664.71 g/mol
LogP8.02
Rot. Bonds11

About 5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1,6-naphthyridin-4-ol

5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1,6-naphthyridin-4-ol (PubChem CID 137117537) has the molecular formula C37H34F2N6O4 and a molecular weight of 664.71 g/mol. Its IUPAC name is 5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1,6-naphthyridin-4-ol.

Molecular Properties

Compound Name5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1,6-naphthyridin-4-ol
PubChem CID137117537
Molecular FormulaC37H34F2N6O4
Molecular Weight664.71 g/mol
Exact Mass664.26
IUPAC Name5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1,6-naphthyridin-4-ol
SMILESCOc1cc2ncnc(Oc3ccc(Nc4nccc5ncc(-c6ccc(F)cc6)c(O)c45)cc3F)c2cc1OCCCN1CCCCC1
InChIInChI=1S/C37H34F2N6O4/c1-47-32-20-30-26(19-33(32)48-17-5-16-45-14-3-2-4-15-45)37(43-22-42-30)49-31-11-10-25(18-28(31)39)44-36-34-29(12-13-40-36)41-21-27(35(34)46)23-6-8-24(38)9-7-23/h6-13,18-22H,2-5,14-17H2,1H3,(H,40,44)(H,41,46)
InChIKeyWEHWZYPLPHDXQC-UHFFFAOYSA-N
XLogP8.02
TPSA114.75 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.71
LogP ≤ 58.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1,6-naphthyridin-4-ol with MolForge

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Related Compounds

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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
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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
Dibenzo[c,f][2,7]naphthyridine, 17
CID 17754539
6-Methoxy-7-[2-(Quinolin-2-Yl)ethoxy]quinazoline
CID 24945787
9-Methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[c]-2,7-naphthyridin-4-amine
CID 25060408
9-Methoxy-8-(2-methoxyethoxy)-N2,N2-dimethylbenzo[c]-2,7-naphthyridine-2,4-diamine
CID 44236913

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1,6-naphthyridin-4-ol?
The IUPAC name of 5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1,6-naphthyridin-4-ol (CID 137117537) is 5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1,6-naphthyridin-4-ol.
What is the SMILES notation for 5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1,6-naphthyridin-4-ol?
The canonical SMILES for 5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1,6-naphthyridin-4-ol is COc1cc2ncnc(Oc3ccc(Nc4nccc5ncc(-c6ccc(F)cc6)c(O)c45)cc3F)c2cc1OCCCN1CCCCC1.
What is the InChIKey of 5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1,6-naphthyridin-4-ol?
The InChIKey is WEHWZYPLPHDXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34F2N6O4/c1-47-32-20-30-26(19-33(32)48-17-5-16-45-14-3-2-4-15-45)37(43-22-42-30)49-31-11-10-25(18-28(31)39)44-36-34-29(12-13-40-36)41-21-27(35(34)46)23-6-8-24(38)9-7-23/h6-13,18-22H,2-5,14-17H2,1H3,(H,40,44)(H,41,46).
What are the key properties of 5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1,6-naphthyridin-4-ol?
5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1,6-naphthyridin-4-ol has a molecular weight of 664.71 g/mol, XLogP of 8.02, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1,6-naphthyridin-4-ol is sourced from PubChem (CID 137117537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).