2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-2,3-dihydroquinazolin-4-one

C17H15ClN2O3 — CID 167905920

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-2,3-dihydroquinazolin-4-one
SMILESCN1c2ccccc2C(=O)NC1c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C17H15ClN2O3/c1-20-13-5-3-2-4-11(13)17(21)19-16(20)10-8-12(18)15-14(9-10)22-6-7-23-15/h2-5,8-9,16H,6-7H2,1H3,(H,19,21)
InChIKeyVRBZSDHJYQNLQD-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.99
Rot. Bonds1

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-2,3-dihydroquinazolin-4-one

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-2,3-dihydroquinazolin-4-one (PubChem CID 167905920) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-2,3-dihydroquinazolin-4-one
PubChem CID167905920
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-2,3-dihydroquinazolin-4-one
SMILESCN1c2ccccc2C(=O)NC1c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C17H15ClN2O3/c1-20-13-5-3-2-4-11(13)17(21)19-16(20)10-8-12(18)15-14(9-10)22-6-7-23-15/h2-5,8-9,16H,6-7H2,1H3,(H,19,21)
InChIKeyVRBZSDHJYQNLQD-UHFFFAOYSA-N
XLogP2.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-2,3-dihydroquinazolin-4-one?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-2,3-dihydroquinazolin-4-one (CID 167905920) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-2,3-dihydroquinazolin-4-one?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-2,3-dihydroquinazolin-4-one is CN1c2ccccc2C(=O)NC1c1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-2,3-dihydroquinazolin-4-one?
The InChIKey is VRBZSDHJYQNLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-20-13-5-3-2-4-11(13)17(21)19-16(20)10-8-12(18)15-14(9-10)22-6-7-23-15/h2-5,8-9,16H,6-7H2,1H3,(H,19,21).
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-2,3-dihydroquinazolin-4-one?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-2,3-dihydroquinazolin-4-one has a molecular weight of 330.77 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 167905920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).