(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one

C24H22N2O3 — CID 7777989

IUPAC(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCCO3)N1CCc1ccccc1
InChIInChI=1S/C24H22N2O3/c27-24-19-8-4-5-9-20(19)25-23(26(24)13-12-17-6-2-1-3-7-17)18-10-11-21-22(16-18)29-15-14-28-21/h1-11,16,23,25H,12-15H2/t23-/m1/s1
InChIKeyYIAWHPYNFYXRJR-HSZRJFAPSA-N
MW386.45 g/mol
LogP4.27
Rot. Bonds4

About (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one

(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 7777989) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
PubChem CID7777989
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCCO3)N1CCc1ccccc1
InChIInChI=1S/C24H22N2O3/c27-24-19-8-4-5-9-20(19)25-23(26(24)13-12-17-6-2-1-3-7-17)18-10-11-21-22(16-18)29-15-14-28-21/h1-11,16,23,25H,12-15H2/t23-/m1/s1
InChIKeyYIAWHPYNFYXRJR-HSZRJFAPSA-N
XLogP4.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroquinazolin-4-one
CID 25347176
2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 54779414
2-(3-nitrophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 4789027
(2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
CID 9007199
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 54779981
methyl 4-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]butanoate
CID 122179904
(2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 2414793
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9328285
(2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 9007221
(2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]-1,2-dihydroquinazolin-4-one
CID 41328394
2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 46515568
(2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one
CID 26435725

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one (CID 7777989) is (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCCO3)N1CCc1ccccc1.
What is the InChIKey of (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is YIAWHPYNFYXRJR-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-24-19-8-4-5-9-20(19)25-23(26(24)13-12-17-6-2-1-3-7-17)18-10-11-21-22(16-18)29-15-14-28-21/h1-11,16,23,25H,12-15H2/t23-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 386.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 7777989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).