(2R)-2-[2,4-bis(difluoromethoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one

C17H14F4N2O3 — CID 26490668

IUPAC(2R)-2-[2,4-bis(difluoromethoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one
SMILESCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C17H14F4N2O3/c1-23-14(22-12-5-3-2-4-10(12)15(23)24)11-7-6-9(25-16(18)19)8-13(11)26-17(20)21/h2-8,14,16-17,22H,1H3/t14-/m1/s1
InChIKeyJGOKUZMIGGNPEJ-CQSZACIVSA-N
MW370.30 g/mol
LogP4.09
Rot. Bonds5

About (2R)-2-[2,4-bis(difluoromethoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one

(2R)-2-[2,4-bis(difluoromethoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one (PubChem CID 26490668) has the molecular formula C17H14F4N2O3 and a molecular weight of 370.30 g/mol. Its IUPAC name is (2R)-2-[2,4-bis(difluoromethoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-[2,4-bis(difluoromethoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one
PubChem CID26490668
Molecular FormulaC17H14F4N2O3
Molecular Weight370.30 g/mol
Exact Mass370.09
IUPAC Name(2R)-2-[2,4-bis(difluoromethoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one
SMILESCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C17H14F4N2O3/c1-23-14(22-12-5-3-2-4-10(12)15(23)24)11-7-6-9(25-16(18)19)8-13(11)26-17(20)21/h2-8,14,16-17,22H,1H3/t14-/m1/s1
InChIKeyJGOKUZMIGGNPEJ-CQSZACIVSA-N
XLogP4.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2,4-bis(difluoromethoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-[2,4-bis(difluoromethoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one (CID 26490668) is (2R)-2-[2,4-bis(difluoromethoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-[2,4-bis(difluoromethoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-[2,4-bis(difluoromethoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one is CN1C(=O)c2ccccc2N[C@H]1c1ccc(OC(F)F)cc1OC(F)F.
What is the InChIKey of (2R)-2-[2,4-bis(difluoromethoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one?
The InChIKey is JGOKUZMIGGNPEJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14F4N2O3/c1-23-14(22-12-5-3-2-4-10(12)15(23)24)11-7-6-9(25-16(18)19)8-13(11)26-17(20)21/h2-8,14,16-17,22H,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-[2,4-bis(difluoromethoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one?
(2R)-2-[2,4-bis(difluoromethoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one has a molecular weight of 370.30 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2,4-bis(difluoromethoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 26490668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).