2-[difluoro-(4-fluorophenyl)methyl]-7-methoxy-N-(1H-pyrazol-5-yl)quinazolin-4-amine

C19H14F3N5O — CID 46893784

IUPAC2-[difluoro-(4-fluorophenyl)methyl]-7-methoxy-N-(1H-pyrazol-5-yl)quinazolin-4-amine
SMILESCOc1ccc2c(Nc3ccn[nH]3)nc(C(F)(F)c3ccc(F)cc3)nc2c1
InChIInChI=1S/C19H14F3N5O/c1-28-13-6-7-14-15(10-13)24-18(26-17(14)25-16-8-9-23-27-16)19(21,22)11-2-4-12(20)5-3-11/h2-10H,1H3,(H2,23,24,25,26,27)
InChIKeyVPLZCGCBZAHCAW-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.38
Rot. Bonds5

About 2-[difluoro-(4-fluorophenyl)methyl]-7-methoxy-N-(1H-pyrazol-5-yl)quinazolin-4-amine

2-[difluoro-(4-fluorophenyl)methyl]-7-methoxy-N-(1H-pyrazol-5-yl)quinazolin-4-amine (PubChem CID 46893784) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 2-[difluoro-(4-fluorophenyl)methyl]-7-methoxy-N-(1H-pyrazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[difluoro-(4-fluorophenyl)methyl]-7-methoxy-N-(1H-pyrazol-5-yl)quinazolin-4-amine
PubChem CID46893784
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name2-[difluoro-(4-fluorophenyl)methyl]-7-methoxy-N-(1H-pyrazol-5-yl)quinazolin-4-amine
SMILESCOc1ccc2c(Nc3ccn[nH]3)nc(C(F)(F)c3ccc(F)cc3)nc2c1
InChIInChI=1S/C19H14F3N5O/c1-28-13-6-7-14-15(10-13)24-18(26-17(14)25-16-8-9-23-27-16)19(21,22)11-2-4-12(20)5-3-11/h2-10H,1H3,(H2,23,24,25,26,27)
InChIKeyVPLZCGCBZAHCAW-UHFFFAOYSA-N
XLogP4.38
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-7-methoxy-N-(1H-pyrazol-5-yl)quinazolin-4-amine?
The IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-7-methoxy-N-(1H-pyrazol-5-yl)quinazolin-4-amine (CID 46893784) is 2-[difluoro-(4-fluorophenyl)methyl]-7-methoxy-N-(1H-pyrazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for 2-[difluoro-(4-fluorophenyl)methyl]-7-methoxy-N-(1H-pyrazol-5-yl)quinazolin-4-amine?
The canonical SMILES for 2-[difluoro-(4-fluorophenyl)methyl]-7-methoxy-N-(1H-pyrazol-5-yl)quinazolin-4-amine is COc1ccc2c(Nc3ccn[nH]3)nc(C(F)(F)c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-[difluoro-(4-fluorophenyl)methyl]-7-methoxy-N-(1H-pyrazol-5-yl)quinazolin-4-amine?
The InChIKey is VPLZCGCBZAHCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-28-13-6-7-14-15(10-13)24-18(26-17(14)25-16-8-9-23-27-16)19(21,22)11-2-4-12(20)5-3-11/h2-10H,1H3,(H2,23,24,25,26,27).
What are the key properties of 2-[difluoro-(4-fluorophenyl)methyl]-7-methoxy-N-(1H-pyrazol-5-yl)quinazolin-4-amine?
2-[difluoro-(4-fluorophenyl)methyl]-7-methoxy-N-(1H-pyrazol-5-yl)quinazolin-4-amine has a molecular weight of 385.35 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(4-fluorophenyl)methyl]-7-methoxy-N-(1H-pyrazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 46893784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).