2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one

C17H14FN3O — CID 156870375

IUPAC2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one
SMILESO=c1[nH]c(CN2CCc3ccccc32)nc2ccc(F)cc12
InChIInChI=1S/C17H14FN3O/c18-12-5-6-14-13(9-12)17(22)20-16(19-14)10-21-8-7-11-3-1-2-4-15(11)21/h1-6,9H,7-8,10H2,(H,19,20,22)
InChIKeyJRJOLSAYJFWWOC-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.62
Rot. Bonds2

About 2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one

2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one (PubChem CID 156870375) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one
PubChem CID156870375
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one
SMILESO=c1[nH]c(CN2CCc3ccccc32)nc2ccc(F)cc12
InChIInChI=1S/C17H14FN3O/c18-12-5-6-14-13(9-12)17(22)20-16(19-14)10-21-8-7-11-3-1-2-4-15(11)21/h1-6,9H,7-8,10H2,(H,19,20,22)
InChIKeyJRJOLSAYJFWWOC-UHFFFAOYSA-N
XLogP2.62
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one?
The IUPAC name of 2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one (CID 156870375) is 2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one?
The canonical SMILES for 2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one is O=c1[nH]c(CN2CCc3ccccc32)nc2ccc(F)cc12.
What is the InChIKey of 2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one?
The InChIKey is JRJOLSAYJFWWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-12-5-6-14-13(9-12)17(22)20-16(19-14)10-21-8-7-11-3-1-2-4-15(11)21/h1-6,9H,7-8,10H2,(H,19,20,22).
What are the key properties of 2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one?
2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one has a molecular weight of 295.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one is sourced from PubChem (CID 156870375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).