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

C17H17N3O — CID 62096504

IUPAC2-(1-methyl-2,3-dihydroindol-5-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCN1CCc2cc(-c3ncc4c(n3)CCCC4=O)ccc21
InChIInChI=1S/C17H17N3O/c1-20-8-7-11-9-12(5-6-15(11)20)17-18-10-13-14(19-17)3-2-4-16(13)21/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyAZFOLVMAJYAUTB-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.65
Rot. Bonds1

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

2-(1-methyl-2,3-dihydroindol-5-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 62096504) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(1-methyl-2,3-dihydroindol-5-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(1-methyl-2,3-dihydroindol-5-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID62096504
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(1-methyl-2,3-dihydroindol-5-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCN1CCc2cc(-c3ncc4c(n3)CCCC4=O)ccc21
InChIInChI=1S/C17H17N3O/c1-20-8-7-11-9-12(5-6-15(11)20)17-18-10-13-14(19-17)3-2-4-16(13)21/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyAZFOLVMAJYAUTB-UHFFFAOYSA-N
XLogP2.65
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,3-dihydroindol-5-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(1-methyl-2,3-dihydroindol-5-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 62096504) is 2-(1-methyl-2,3-dihydroindol-5-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(1-methyl-2,3-dihydroindol-5-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(1-methyl-2,3-dihydroindol-5-yl)-7,8-dihydro-6H-quinazolin-5-one is CN1CCc2cc(-c3ncc4c(n3)CCCC4=O)ccc21.
What is the InChIKey of 2-(1-methyl-2,3-dihydroindol-5-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is AZFOLVMAJYAUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20-8-7-11-9-12(5-6-15(11)20)17-18-10-13-14(19-17)3-2-4-16(13)21/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 2-(1-methyl-2,3-dihydroindol-5-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-(1-methyl-2,3-dihydroindol-5-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 279.34 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,3-dihydroindol-5-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 62096504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).