2-(2,3-dihydroindol-1-yl)-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

C24H23N3O3 — CID 3353363

IUPAC2-(2,3-dihydroindol-1-yl)-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(C2CC(=O)c3cnc(N4CCc5ccccc54)nc3C2)cc1OC
InChIInChI=1S/C24H23N3O3/c1-29-22-8-7-16(13-23(22)30-2)17-11-19-18(21(28)12-17)14-25-24(26-19)27-10-9-15-5-3-4-6-20(15)27/h3-8,13-14,17H,9-12H2,1-2H3
InChIKeyKADZOBOGDRCVPI-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.10
Rot. Bonds4

About 2-(2,3-dihydroindol-1-yl)-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

2-(2,3-dihydroindol-1-yl)-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 3353363) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID3353363
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name2-(2,3-dihydroindol-1-yl)-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(C2CC(=O)c3cnc(N4CCc5ccccc54)nc3C2)cc1OC
InChIInChI=1S/C24H23N3O3/c1-29-22-8-7-16(13-23(22)30-2)17-11-19-18(21(28)12-17)14-25-24(26-19)27-10-9-15-5-3-4-6-20(15)27/h3-8,13-14,17H,9-12H2,1-2H3
InChIKeyKADZOBOGDRCVPI-UHFFFAOYSA-N
XLogP4.10
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 3353363) is 2-(2,3-dihydroindol-1-yl)-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is COc1ccc(C2CC(=O)c3cnc(N4CCc5ccccc54)nc3C2)cc1OC.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is KADZOBOGDRCVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-29-22-8-7-16(13-23(22)30-2)17-11-19-18(21(28)12-17)14-25-24(26-19)27-10-9-15-5-3-4-6-20(15)27/h3-8,13-14,17H,9-12H2,1-2H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(2,3-dihydroindol-1-yl)-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 401.47 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 3353363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).