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

C22H18FN3O — CID 664334

IUPAC2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccc(F)cc2)Cc2nc(N3CCc4ccccc43)ncc21
InChIInChI=1S/C22H18FN3O/c23-17-7-5-14(6-8-17)16-11-19-18(21(27)12-16)13-24-22(25-19)26-10-9-15-3-1-2-4-20(15)26/h1-8,13,16H,9-12H2
InChIKeyCCPUPBBFHXWAMY-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.22
Rot. Bonds2

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

2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 664334) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID664334
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccc(F)cc2)Cc2nc(N3CCc4ccccc43)ncc21
InChIInChI=1S/C22H18FN3O/c23-17-7-5-14(6-8-17)16-11-19-18(21(27)12-16)13-24-22(25-19)26-10-9-15-3-1-2-4-20(15)26/h1-8,13,16H,9-12H2
InChIKeyCCPUPBBFHXWAMY-UHFFFAOYSA-N
XLogP4.22
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.22
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)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 664334) is 2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2ccc(F)cc2)Cc2nc(N3CCc4ccccc43)ncc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is CCPUPBBFHXWAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c23-17-7-5-14(6-8-17)16-11-19-18(21(27)12-16)13-24-22(25-19)26-10-9-15-3-1-2-4-20(15)26/h1-8,13,16H,9-12H2.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 359.40 g/mol, XLogP of 4.22, 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)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 664334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).