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

C21H18F2N6O2 — CID 155340378

IUPAC6-[5-(difluoromethoxy)-2-pyridinyl]-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
SMILESCOc1cc(-c2ccc(OC(F)F)cn2)cc2c(NCc3ccc(C)nn3)ncnc12
InChIInChI=1S/C21H18F2N6O2/c1-12-3-4-14(29-28-12)9-25-20-16-7-13(8-18(30-2)19(16)26-11-27-20)17-6-5-15(10-24-17)31-21(22)23/h3-8,10-11,21H,9H2,1-2H3,(H,25,26,27)
InChIKeyKVFSSUZIJFYYEG-UHFFFAOYSA-N
MW424.41 g/mol
LogP4.01
Rot. Bonds7

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

6-[5-(difluoromethoxy)-2-pyridinyl]-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine (PubChem CID 155340378) has the molecular formula C21H18F2N6O2 and a molecular weight of 424.41 g/mol. Its IUPAC name is 6-[5-(difluoromethoxy)-2-pyridinyl]-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[5-(difluoromethoxy)-2-pyridinyl]-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
PubChem CID155340378
Molecular FormulaC21H18F2N6O2
Molecular Weight424.41 g/mol
Exact Mass424.15
IUPAC Name6-[5-(difluoromethoxy)-2-pyridinyl]-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
SMILESCOc1cc(-c2ccc(OC(F)F)cn2)cc2c(NCc3ccc(C)nn3)ncnc12
InChIInChI=1S/C21H18F2N6O2/c1-12-3-4-14(29-28-12)9-25-20-16-7-13(8-18(30-2)19(16)26-11-27-20)17-6-5-15(10-24-17)31-21(22)23/h3-8,10-11,21H,9H2,1-2H3,(H,25,26,27)
InChIKeyKVFSSUZIJFYYEG-UHFFFAOYSA-N
XLogP4.01
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(difluoromethoxy)-2-pyridinyl]-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-[5-(difluoromethoxy)-2-pyridinyl]-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine (CID 155340378) is 6-[5-(difluoromethoxy)-2-pyridinyl]-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-[5-(difluoromethoxy)-2-pyridinyl]-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-[5-(difluoromethoxy)-2-pyridinyl]-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine is COc1cc(-c2ccc(OC(F)F)cn2)cc2c(NCc3ccc(C)nn3)ncnc12.
What is the InChIKey of 6-[5-(difluoromethoxy)-2-pyridinyl]-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
The InChIKey is KVFSSUZIJFYYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O2/c1-12-3-4-14(29-28-12)9-25-20-16-7-13(8-18(30-2)19(16)26-11-27-20)17-6-5-15(10-24-17)31-21(22)23/h3-8,10-11,21H,9H2,1-2H3,(H,25,26,27).
What are the key properties of 6-[5-(difluoromethoxy)-2-pyridinyl]-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
6-[5-(difluoromethoxy)-2-pyridinyl]-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine has a molecular weight of 424.41 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(difluoromethoxy)-2-pyridinyl]-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 155340378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).