(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one

C23H20N2O4 — CID 9328285

IUPAC(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H20N2O4/c1-27-19-9-5-4-8-18(19)25-22(24-17-7-3-2-6-16(17)23(25)26)15-10-11-20-21(14-15)29-13-12-28-20/h2-11,14,22,24H,12-13H2,1H3/t22-/m0/s1
InChIKeyBDABIBKJWSFDPF-QFIPXVFZSA-N
MW388.42 g/mol
LogP4.24
Rot. Bonds3

About (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one

(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 9328285) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID9328285
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H20N2O4/c1-27-19-9-5-4-8-18(19)25-22(24-17-7-3-2-6-16(17)23(25)26)15-10-11-20-21(14-15)29-13-12-28-20/h2-11,14,22,24H,12-13H2,1H3/t22-/m0/s1
InChIKeyBDABIBKJWSFDPF-QFIPXVFZSA-N
XLogP4.24
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1302513
2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2962498
(2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007508
(2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007456
2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 658545
(2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007459
(2S)-3-(2-methoxyphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011931
N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 2174419
(2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one
CID 26435725
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 17421173
(2R)-2-(furan-2-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007501
(2S)-3-(1,3-benzodioxol-5-yl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 38112608

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 9328285) is (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)OCCO2.
What is the InChIKey of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is BDABIBKJWSFDPF-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-27-19-9-5-4-8-18(19)25-22(24-17-7-3-2-6-16(17)23(25)26)15-10-11-20-21(14-15)29-13-12-28-20/h2-11,14,22,24H,12-13H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 388.42 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9328285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).