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

C23H20FN3O — CID 41386793

IUPAC(7R)-2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCc3ccccc32)nc2c1C(=O)C[C@H](c1ccc(F)cc1)C2
InChIInChI=1S/C23H20FN3O/c1-14-22-19(12-17(13-21(22)28)15-6-8-18(24)9-7-15)26-23(25-14)27-11-10-16-4-2-3-5-20(16)27/h2-9,17H,10-13H2,1H3/t17-/m1/s1
InChIKeyHVSDOGZTOSXIBK-QGZVFWFLSA-N
MW373.43 g/mol
LogP4.53
Rot. Bonds2

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

(7R)-2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41386793) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is (7R)-2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID41386793
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name(7R)-2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCc3ccccc32)nc2c1C(=O)C[C@H](c1ccc(F)cc1)C2
InChIInChI=1S/C23H20FN3O/c1-14-22-19(12-17(13-21(22)28)15-6-8-18(24)9-7-15)26-23(25-14)27-11-10-16-4-2-3-5-20(16)27/h2-9,17H,10-13H2,1H3/t17-/m1/s1
InChIKeyHVSDOGZTOSXIBK-QGZVFWFLSA-N
XLogP4.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 41386793) is (7R)-2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCc3ccccc32)nc2c1C(=O)C[C@H](c1ccc(F)cc1)C2.
What is the InChIKey of (7R)-2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is HVSDOGZTOSXIBK-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-14-22-19(12-17(13-21(22)28)15-6-8-18(24)9-7-15)26-23(25-14)27-11-10-16-4-2-3-5-20(16)27/h2-9,17H,10-13H2,1H3/t17-/m1/s1.
What are the key properties of (7R)-2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
(7R)-2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 373.43 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41386793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).