2-(2,3-dihydroindol-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

C22H19N3O — CID 663982

IUPAC2-(2,3-dihydroindol-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccccc2)Cc2nc(N3CCc4ccccc43)ncc21
InChIInChI=1S/C22H19N3O/c26-21-13-17(15-6-2-1-3-7-15)12-19-18(21)14-23-22(24-19)25-11-10-16-8-4-5-9-20(16)25/h1-9,14,17H,10-13H2
InChIKeyXWKHRPYKFJBBTB-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.08
Rot. Bonds2

About 2-(2,3-dihydroindol-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

2-(2,3-dihydroindol-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 663982) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID663982
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-(2,3-dihydroindol-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccccc2)Cc2nc(N3CCc4ccccc43)ncc21
InChIInChI=1S/C22H19N3O/c26-21-13-17(15-6-2-1-3-7-15)12-19-18(21)14-23-22(24-19)25-11-10-16-8-4-5-9-20(16)25/h1-9,14,17H,10-13H2
InChIKeyXWKHRPYKFJBBTB-UHFFFAOYSA-N
XLogP4.08
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 663982) is 2-(2,3-dihydroindol-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2ccccc2)Cc2nc(N3CCc4ccccc43)ncc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is XWKHRPYKFJBBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c26-21-13-17(15-6-2-1-3-7-15)12-19-18(21)14-23-22(24-19)25-11-10-16-8-4-5-9-20(16)25/h1-9,14,17H,10-13H2.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
2-(2,3-dihydroindol-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 341.41 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 663982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).