3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one

C20H17FN2O2 — CID 51114892

IUPAC3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H17FN2O2/c1-2-23-19(22-16-6-4-3-5-15(16)20(23)24)18-12-11-17(25-18)13-7-9-14(21)10-8-13/h3-12,19,22H,2H2,1H3
InChIKeyMMGDGTHJQZDINH-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.67
Rot. Bonds3

About 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one

3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one (PubChem CID 51114892) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
PubChem CID51114892
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H17FN2O2/c1-2-23-19(22-16-6-4-3-5-15(16)20(23)24)18-12-11-17(25-18)13-7-9-14(21)10-8-13/h3-12,19,22H,2H2,1H3
InChIKeyMMGDGTHJQZDINH-UHFFFAOYSA-N
XLogP4.67
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 25340350
(2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 25355031
3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 166215044
3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 138057442
(2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one
CID 51466277
2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one
CID 54778083
2-(3,4-dihydroxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
CID 47030381
2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one
CID 4744926
3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778020
3-(2-propan-2-ylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 4919242
(2R)-3-cyclopropyl-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 41083953
(2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 124726061

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one (CID 51114892) is 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one is CCN1C(=O)c2ccccc2NC1c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
The InChIKey is MMGDGTHJQZDINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-2-23-19(22-16-6-4-3-5-15(16)20(23)24)18-12-11-17(25-18)13-7-9-14(21)10-8-13/h3-12,19,22H,2H2,1H3.
What are the key properties of 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one has a molecular weight of 336.37 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 51114892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).