(2R)-2-(6-chloro-4H-1,3-benzodioxin-8-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one

C23H19ClN2O4 — CID 1202485

IUPAC(2R)-2-(6-chloro-4H-1,3-benzodioxin-8-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1cc(Cl)cc2c1OCOC2
InChIInChI=1S/C23H19ClN2O4/c1-28-20-9-5-4-8-19(20)26-22(25-18-7-3-2-6-16(18)23(26)27)17-11-15(24)10-14-12-29-13-30-21(14)17/h2-11,22,25H,12-13H2,1H3/t22-/m1/s1
InChIKeyWQNKAZADTPERPJ-JOCHJYFZSA-N
MW422.87 g/mol
LogP4.99
Rot. Bonds3

About (2R)-2-(6-chloro-4H-1,3-benzodioxin-8-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one

(2R)-2-(6-chloro-4H-1,3-benzodioxin-8-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 1202485) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is (2R)-2-(6-chloro-4H-1,3-benzodioxin-8-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(6-chloro-4H-1,3-benzodioxin-8-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID1202485
Molecular FormulaC23H19ClN2O4
Molecular Weight422.87 g/mol
Exact Mass422.10
IUPAC Name(2R)-2-(6-chloro-4H-1,3-benzodioxin-8-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1cc(Cl)cc2c1OCOC2
InChIInChI=1S/C23H19ClN2O4/c1-28-20-9-5-4-8-19(20)26-22(25-18-7-3-2-6-16(18)23(26)27)17-11-15(24)10-14-12-29-13-30-21(14)17/h2-11,22,25H,12-13H2,1H3/t22-/m1/s1
InChIKeyWQNKAZADTPERPJ-JOCHJYFZSA-N
XLogP4.99
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-chloro-4H-1,3-benzodioxin-8-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(6-chloro-4H-1,3-benzodioxin-8-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 1202485) is (2R)-2-(6-chloro-4H-1,3-benzodioxin-8-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(6-chloro-4H-1,3-benzodioxin-8-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(6-chloro-4H-1,3-benzodioxin-8-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1cc(Cl)cc2c1OCOC2.
What is the InChIKey of (2R)-2-(6-chloro-4H-1,3-benzodioxin-8-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is WQNKAZADTPERPJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H19ClN2O4/c1-28-20-9-5-4-8-19(20)26-22(25-18-7-3-2-6-16(18)23(26)27)17-11-15(24)10-14-12-29-13-30-21(14)17/h2-11,22,25H,12-13H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-2-(6-chloro-4H-1,3-benzodioxin-8-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
(2R)-2-(6-chloro-4H-1,3-benzodioxin-8-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 422.87 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-chloro-4H-1,3-benzodioxin-8-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 1202485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).