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

C16H15N3O — CID 663648

IUPAC2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(N3CCc4ccccc43)ncc21
InChIInChI=1S/C16H15N3O/c20-15-7-3-5-13-12(15)10-17-16(18-13)19-9-8-11-4-1-2-6-14(11)19/h1-2,4,6,10H,3,5,7-9H2
InChIKeyBNZBFVGKGGBLAA-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.69
Rot. Bonds1

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

2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 663648) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID663648
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(N3CCc4ccccc43)ncc21
InChIInChI=1S/C16H15N3O/c20-15-7-3-5-13-12(15)10-17-16(18-13)19-9-8-11-4-1-2-6-14(11)19/h1-2,4,6,10H,3,5,7-9H2
InChIKeyBNZBFVGKGGBLAA-UHFFFAOYSA-N
XLogP2.69
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.69
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)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 663648) is 2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one is O=C1CCCc2nc(N3CCc4ccccc43)ncc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is BNZBFVGKGGBLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-15-7-3-5-13-12(15)10-17-16(18-13)19-9-8-11-4-1-2-6-14(11)19/h1-2,4,6,10H,3,5,7-9H2.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 265.32 g/mol, XLogP of 2.69, 1 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)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 663648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).