3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline

C16H14F2N2O — CID 174835611

IUPAC3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline
SMILESFC(F)Oc1ccc(CN2C=Nc3ccccc3C2)cc1
InChIInChI=1S/C16H14F2N2O/c17-16(18)21-14-7-5-12(6-8-14)9-20-10-13-3-1-2-4-15(13)19-11-20/h1-8,11,16H,9-10H2
InChIKeyBGRSFKMKIFOBRG-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.96
Rot. Bonds4

About 3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline

3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline (PubChem CID 174835611) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline.

Molecular Properties

Compound Name3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline
PubChem CID174835611
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline
SMILESFC(F)Oc1ccc(CN2C=Nc3ccccc3C2)cc1
InChIInChI=1S/C16H14F2N2O/c17-16(18)21-14-7-5-12(6-8-14)9-20-10-13-3-1-2-4-15(13)19-11-20/h1-8,11,16H,9-10H2
InChIKeyBGRSFKMKIFOBRG-UHFFFAOYSA-N
XLogP3.96
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline?
The IUPAC name of 3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline (CID 174835611) is 3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline.
What is the SMILES notation for 3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline?
The canonical SMILES for 3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline is FC(F)Oc1ccc(CN2C=Nc3ccccc3C2)cc1.
What is the InChIKey of 3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline?
The InChIKey is BGRSFKMKIFOBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-16(18)21-14-7-5-12(6-8-14)9-20-10-13-3-1-2-4-15(13)19-11-20/h1-8,11,16H,9-10H2.
What are the key properties of 3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline?
3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline has a molecular weight of 288.30 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline is sourced from PubChem (CID 174835611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).