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

C20H17N3O2 — CID 3664262

IUPAC2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccco2)Cc2nc(N3CCc4ccccc43)ncc21
InChIInChI=1S/C20H17N3O2/c24-18-11-14(19-6-3-9-25-19)10-16-15(18)12-21-20(22-16)23-8-7-13-4-1-2-5-17(13)23/h1-6,9,12,14H,7-8,10-11H2
InChIKeyCUHYKNMTRDUGKB-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.68
Rot. Bonds2

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

2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 3664262) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID3664262
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccco2)Cc2nc(N3CCc4ccccc43)ncc21
InChIInChI=1S/C20H17N3O2/c24-18-11-14(19-6-3-9-25-19)10-16-15(18)12-21-20(22-16)23-8-7-13-4-1-2-5-17(13)23/h1-6,9,12,14H,7-8,10-11H2
InChIKeyCUHYKNMTRDUGKB-UHFFFAOYSA-N
XLogP3.68
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 3664262) is 2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2ccco2)Cc2nc(N3CCc4ccccc43)ncc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is CUHYKNMTRDUGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-18-11-14(19-6-3-9-25-19)10-16-15(18)12-21-20(22-16)23-8-7-13-4-1-2-5-17(13)23/h1-6,9,12,14H,7-8,10-11H2.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 331.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 3664262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).