(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one

C22H21FN4O2 — CID 51928837

IUPAC(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2cn[nH]c2-c2ccc(F)cc2)N1C[C@H]1CCCO1
InChIInChI=1S/C22H21FN4O2/c23-15-9-7-14(8-10-15)20-18(12-24-26-20)21-25-19-6-2-1-5-17(19)22(28)27(21)13-16-4-3-11-29-16/h1-2,5-10,12,16,21,25H,3-4,11,13H2,(H,24,26)/t16-,21-/m1/s1
InChIKeyCJVUTLGRYZUFLH-IIBYNOLFSA-N
MW392.43 g/mol
LogP3.96
Rot. Bonds4

About (2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one

(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one (PubChem CID 51928837) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is (2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
PubChem CID51928837
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2cn[nH]c2-c2ccc(F)cc2)N1C[C@H]1CCCO1
InChIInChI=1S/C22H21FN4O2/c23-15-9-7-14(8-10-15)20-18(12-24-26-20)21-25-19-6-2-1-5-17(19)22(28)27(21)13-16-4-3-11-29-16/h1-2,5-10,12,16,21,25H,3-4,11,13H2,(H,24,26)/t16-,21-/m1/s1
InChIKeyCJVUTLGRYZUFLH-IIBYNOLFSA-N
XLogP3.96
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-naphthalen-1-yl-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 26638752
(2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 25359987
3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779750
3-(oxolan-2-ylmethyl)-2-(2-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779735
2-[2-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 54779758
2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 17396250
2-(2-butoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 54779736
3-(oxolan-2-ylmethyl)-2-(4-piperidin-1-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 24512406
(2S)-3-[[(2R)-oxolan-2-yl]methyl]-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 26638808
(2R)-2-(2-chloro-5-nitrophenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 25359600
(2R)-2-(4-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 25384441
(2S)-2-(5-methylthiophen-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41198775

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one (CID 51928837) is (2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2cn[nH]c2-c2ccc(F)cc2)N1C[C@H]1CCCO1.
What is the InChIKey of (2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is CJVUTLGRYZUFLH-IIBYNOLFSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-15-9-7-14(8-10-15)20-18(12-24-26-20)21-25-19-6-2-1-5-17(19)22(28)27(21)13-16-4-3-11-29-16/h1-2,5-10,12,16,21,25H,3-4,11,13H2,(H,24,26)/t16-,21-/m1/s1.
What are the key properties of (2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?
(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 392.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 51928837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).