4-(3,4-difluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one

C22H18F2N2O2 — CID 22625979

IUPAC4-(3,4-difluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one
SMILESCOc1ccc(CN2C(=O)NC(c3ccc(F)c(F)c3)c3ccccc32)cc1
InChIInChI=1S/C22H18F2N2O2/c1-28-16-9-6-14(7-10-16)13-26-20-5-3-2-4-17(20)21(25-22(26)27)15-8-11-18(23)19(24)12-15/h2-12,21H,13H2,1H3,(H,25,27)
InChIKeyVDGQLGVISANFME-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.79
Rot. Bonds4

About 4-(3,4-difluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one

4-(3,4-difluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one (PubChem CID 22625979) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one
PubChem CID22625979
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name4-(3,4-difluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one
SMILESCOc1ccc(CN2C(=O)NC(c3ccc(F)c(F)c3)c3ccccc32)cc1
InChIInChI=1S/C22H18F2N2O2/c1-28-16-9-6-14(7-10-16)13-26-20-5-3-2-4-17(20)21(25-22(26)27)15-8-11-18(23)19(24)12-15/h2-12,21H,13H2,1H3,(H,25,27)
InChIKeyVDGQLGVISANFME-UHFFFAOYSA-N
XLogP4.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one?
The IUPAC name of 4-(3,4-difluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one (CID 22625979) is 4-(3,4-difluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 4-(3,4-difluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one is COc1ccc(CN2C(=O)NC(c3ccc(F)c(F)c3)c3ccccc32)cc1.
What is the InChIKey of 4-(3,4-difluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one?
The InChIKey is VDGQLGVISANFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c1-28-16-9-6-14(7-10-16)13-26-20-5-3-2-4-17(20)21(25-22(26)27)15-8-11-18(23)19(24)12-15/h2-12,21H,13H2,1H3,(H,25,27).
What are the key properties of 4-(3,4-difluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one?
4-(3,4-difluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one has a molecular weight of 380.39 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 22625979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).