6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol

C20H16FN5O — CID 155339950

IUPAC6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol
SMILESCc1ccc(CNc2ncnc3c(O)cc(-c4ccc(F)cc4)cc23)nn1
InChIInChI=1S/C20H16FN5O/c1-12-2-7-16(26-25-12)10-22-20-17-8-14(13-3-5-15(21)6-4-13)9-18(27)19(17)23-11-24-20/h2-9,11,27H,10H2,1H3,(H,22,23,24)
InChIKeyGAJXEDIOKIPFPI-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.85
Rot. Bonds4

About 6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol

6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol (PubChem CID 155339950) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol
PubChem CID155339950
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol
SMILESCc1ccc(CNc2ncnc3c(O)cc(-c4ccc(F)cc4)cc23)nn1
InChIInChI=1S/C20H16FN5O/c1-12-2-7-16(26-25-12)10-22-20-17-8-14(13-3-5-15(21)6-4-13)9-18(27)19(17)23-11-24-20/h2-9,11,27H,10H2,1H3,(H,22,23,24)
InChIKeyGAJXEDIOKIPFPI-UHFFFAOYSA-N
XLogP3.85
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol?
The IUPAC name of 6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol (CID 155339950) is 6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol.
What is the SMILES notation for 6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol?
The canonical SMILES for 6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol is Cc1ccc(CNc2ncnc3c(O)cc(-c4ccc(F)cc4)cc23)nn1.
What is the InChIKey of 6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol?
The InChIKey is GAJXEDIOKIPFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-12-2-7-16(26-25-12)10-22-20-17-8-14(13-3-5-15(21)6-4-13)9-18(27)19(17)23-11-24-20/h2-9,11,27H,10H2,1H3,(H,22,23,24).
What are the key properties of 6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol?
6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol has a molecular weight of 361.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol is sourced from PubChem (CID 155339950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).