(2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one

C22H16N2O5 — CID 26435725

IUPAC(2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)N1c1ccc2c(c1)OCO2
InChIInChI=1S/C22H16N2O5/c25-22-15-3-1-2-4-16(15)23-21(13-5-7-17-19(9-13)28-11-26-17)24(22)14-6-8-18-20(10-14)29-12-27-18/h1-10,21,23H,11-12H2/t21-/m1/s1
InChIKeyVGUIUWFHIDMHCS-OAQYLSRUSA-N
MW388.38 g/mol
LogP3.92
Rot. Bonds2

About (2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one

(2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 26435725) has the molecular formula C22H16N2O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is (2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one
PubChem CID26435725
Molecular FormulaC22H16N2O5
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC Name(2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)N1c1ccc2c(c1)OCO2
InChIInChI=1S/C22H16N2O5/c25-22-15-3-1-2-4-16(15)23-21(13-5-7-17-19(9-13)28-11-26-17)24(22)14-6-8-18-20(10-14)29-12-27-18/h1-10,21,23H,11-12H2/t21-/m1/s1
InChIKeyVGUIUWFHIDMHCS-OAQYLSRUSA-N
XLogP3.92
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9007630
2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 3115659
(2S)-3-(1,3-benzodioxol-5-yl)-2-(4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007617
(2S)-2-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1,2-dihydroquinazolin-4-one
CID 987243
(2S)-3-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one
CID 9007625
(2S)-3-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)-1,2-dihydroquinazolin-4-one
CID 9007675
(2S)-2-(1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 1043350
(2R)-3-(1,3-benzodioxol-5-yl)-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007679
(2R)-3-(1,3-benzodioxol-5-yl)-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 40671038
(2R)-2-(1,3-benzodioxol-5-yl)-3-[4-[(2S)-butan-2-yl]phenyl]-1,2-dihydroquinazolin-4-one
CID 1420155
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 17421173
2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2962498

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one (CID 26435725) is (2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)N1c1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is VGUIUWFHIDMHCS-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H16N2O5/c25-22-15-3-1-2-4-16(15)23-21(13-5-7-17-19(9-13)28-11-26-17)24(22)14-6-8-18-20(10-14)29-12-27-18/h1-10,21,23H,11-12H2/t21-/m1/s1.
What are the key properties of (2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one?
(2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 388.38 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 26435725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).