6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine

C20H17FN6O — CID 155728086

IUPAC6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
SMILESCOc1cc(-c2ccc(F)cn2)cc2c(NCc3ccc(C)nn3)ncnc12
InChIInChI=1S/C20H17FN6O/c1-12-3-5-15(27-26-12)10-23-20-16-7-13(17-6-4-14(21)9-22-17)8-18(28-2)19(16)24-11-25-20/h3-9,11H,10H2,1-2H3,(H,23,24,25)
InChIKeyQLQFSNDPQWWACP-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.55
Rot. Bonds5

About 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine

6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine (PubChem CID 155728086) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
PubChem CID155728086
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
SMILESCOc1cc(-c2ccc(F)cn2)cc2c(NCc3ccc(C)nn3)ncnc12
InChIInChI=1S/C20H17FN6O/c1-12-3-5-15(27-26-12)10-23-20-16-7-13(17-6-4-14(21)9-22-17)8-18(28-2)19(16)24-11-25-20/h3-9,11H,10H2,1-2H3,(H,23,24,25)
InChIKeyQLQFSNDPQWWACP-UHFFFAOYSA-N
XLogP3.55
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine (CID 155728086) is 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine is COc1cc(-c2ccc(F)cn2)cc2c(NCc3ccc(C)nn3)ncnc12.
What is the InChIKey of 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
The InChIKey is QLQFSNDPQWWACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-12-3-5-15(27-26-12)10-23-20-16-7-13(17-6-4-14(21)9-22-17)8-18(28-2)19(16)24-11-25-20/h3-9,11H,10H2,1-2H3,(H,23,24,25).
What are the key properties of 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine has a molecular weight of 376.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 155728086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).