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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Related Compounds

4H-Imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-5-butyl-1-methyl-
CID 3077017
2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
2-[(2,4-dimethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4917731
1-(2-Amino-4-methyl-quinazolin-7-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-indol-4-one
CID 25061752
2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 943239
7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 665345
7-methyl-2-[(3-methylphenyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665688
2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 2986465
ER-37328
CID 21849939
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 663860
2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 664565
7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 665531

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).