(2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one

C25H20N4O3 — CID 2407170

IUPAC(2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)Nc2ccccc21
InChIInChI=1S/C25H20N4O3/c30-25-18-8-4-5-9-20(18)26-24(27-25)19-15-29(17-6-2-1-3-7-17)28-23(19)16-10-11-21-22(14-16)32-13-12-31-21/h1-11,14-15,24,26H,12-13H2,(H,27,30)/t24-/m1/s1
InChIKeyFDHKTMOHKBXPKO-XMMPIXPASA-N
MW424.46 g/mol
LogP4.16
Rot. Bonds3

About (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one

(2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 2407170) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
PubChem CID2407170
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name(2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)Nc2ccccc21
InChIInChI=1S/C25H20N4O3/c30-25-18-8-4-5-9-20(18)26-24(27-25)19-15-29(17-6-2-1-3-7-17)28-23(19)16-10-11-21-22(14-16)32-13-12-31-21/h1-11,14-15,24,26H,12-13H2,(H,27,30)/t24-/m1/s1
InChIKeyFDHKTMOHKBXPKO-XMMPIXPASA-N
XLogP4.16
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 4068278
5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 5109137
2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one
CID 17496133
(5Z)-5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6520756
(2Z)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]-3H-inden-1-one
CID 92997798
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one;hydron;chloride
CID 2999442
(2S)-2-[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 41155134
8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 55598846
[(3R)-2-oxooxolan-3-yl] (Z)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 92929913
(2S)-2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 40632854
(Z)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 2361702
(2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 9292068

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (CID 2407170) is (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one is O=C1N[C@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)Nc2ccccc21.
What is the InChIKey of (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is FDHKTMOHKBXPKO-XMMPIXPASA-N. The full InChI is InChI=1S/C25H20N4O3/c30-25-18-8-4-5-9-20(18)26-24(27-25)19-15-29(17-6-2-1-3-7-17)28-23(19)16-10-11-21-22(14-16)32-13-12-31-21/h1-11,14-15,24,26H,12-13H2,(H,27,30)/t24-/m1/s1.
What are the key properties of (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one?
(2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 424.46 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 2407170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).