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

C24H23N3O — CID 16652858

IUPAC2-(2,3-dihydroindol-1-yl)-4-methyl-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccccc1C1CC(=O)c2c(C)nc(N3CCc4ccccc43)nc2C1
InChIInChI=1S/C24H23N3O/c1-15-7-3-5-9-19(15)18-13-20-23(22(28)14-18)16(2)25-24(26-20)27-12-11-17-8-4-6-10-21(17)27/h3-10,18H,11-14H2,1-2H3
InChIKeyLRGRBBCQUHEZJH-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.70
Rot. Bonds2

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

2-(2,3-dihydroindol-1-yl)-4-methyl-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16652858) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-4-methyl-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-4-methyl-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16652858
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name2-(2,3-dihydroindol-1-yl)-4-methyl-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccccc1C1CC(=O)c2c(C)nc(N3CCc4ccccc43)nc2C1
InChIInChI=1S/C24H23N3O/c1-15-7-3-5-9-19(15)18-13-20-23(22(28)14-18)16(2)25-24(26-20)27-12-11-17-8-4-6-10-21(17)27/h3-10,18H,11-14H2,1-2H3
InChIKeyLRGRBBCQUHEZJH-UHFFFAOYSA-N
XLogP4.70
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.70
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)-4-methyl-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-4-methyl-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 16652858) is 2-(2,3-dihydroindol-1-yl)-4-methyl-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-4-methyl-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-4-methyl-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccccc1C1CC(=O)c2c(C)nc(N3CCc4ccccc43)nc2C1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-4-methyl-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is LRGRBBCQUHEZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-15-7-3-5-9-19(15)18-13-20-23(22(28)14-18)16(2)25-24(26-20)27-12-11-17-8-4-6-10-21(17)27/h3-10,18H,11-14H2,1-2H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-4-methyl-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(2,3-dihydroindol-1-yl)-4-methyl-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 369.47 g/mol, XLogP of 4.70, 2 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)-4-methyl-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16652858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).