(2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one

C19H15FN2O2 — CID 950967

IUPAC(2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccccc2F)N1Cc1ccco1
InChIInChI=1S/C19H15FN2O2/c20-16-9-3-1-7-14(16)18-21-17-10-4-2-8-15(17)19(23)22(18)12-13-6-5-11-24-13/h1-11,18,21H,12H2/t18-/m0/s1
InChIKeyJODVKNSZADYOEQ-SFHVURJKSA-N
MW322.34 g/mol
LogP4.19
Rot. Bonds3

About (2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one

(2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 950967) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
PubChem CID950967
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name(2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccccc2F)N1Cc1ccco1
InChIInChI=1S/C19H15FN2O2/c20-16-9-3-1-7-14(16)18-21-17-10-4-2-8-15(17)19(23)22(18)12-13-6-5-11-24-13/h1-11,18,21H,12H2/t18-/m0/s1
InChIKeyJODVKNSZADYOEQ-SFHVURJKSA-N
XLogP4.19
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(furan-2-ylmethyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 25408634
3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780320
2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one
CID 155928172
3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 54777720
2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 172970558
(2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 124726061
3-(furan-2-ylmethyl)-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780073
(2S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 1011888
(2S)-2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 41119021
(2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 1212587
3-(furan-2-ylmethyl)-2-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]-1,2-dihydroquinazolin-4-one
CID 54780189
2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 54777616

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one (CID 950967) is (2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@H](c2ccccc2F)N1Cc1ccco1.
What is the InChIKey of (2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is JODVKNSZADYOEQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H15FN2O2/c20-16-9-3-1-7-14(16)18-21-17-10-4-2-8-15(17)19(23)22(18)12-13-6-5-11-24-13/h1-11,18,21H,12H2/t18-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
(2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 322.34 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 950967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).