2-(6-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C20H23FN4O — CID 138594964

IUPAC2-(6-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC3(CC2)CNc2cc(F)ccc23)nc2c1CCCC2
InChIInChI=1S/C20H23FN4O/c21-13-5-6-15-17(11-13)22-12-20(15)7-9-25(10-8-20)19-23-16-4-2-1-3-14(16)18(26)24-19/h5-6,11,22H,1-4,7-10,12H2,(H,23,24,26)
InChIKeyKMMKOGNMTHXBIM-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.75
Rot. Bonds1

About 2-(6-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(6-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 138594964) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(6-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(6-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID138594964
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name2-(6-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC3(CC2)CNc2cc(F)ccc23)nc2c1CCCC2
InChIInChI=1S/C20H23FN4O/c21-13-5-6-15-17(11-13)22-12-20(15)7-9-25(10-8-20)19-23-16-4-2-1-3-14(16)18(26)24-19/h5-6,11,22H,1-4,7-10,12H2,(H,23,24,26)
InChIKeyKMMKOGNMTHXBIM-UHFFFAOYSA-N
XLogP2.75
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(6-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 138594964) is 2-(6-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(6-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(6-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(N2CCC3(CC2)CNc2cc(F)ccc23)nc2c1CCCC2.
What is the InChIKey of 2-(6-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is KMMKOGNMTHXBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c21-13-5-6-15-17(11-13)22-12-20(15)7-9-25(10-8-20)19-23-16-4-2-1-3-14(16)18(26)24-19/h5-6,11,22H,1-4,7-10,12H2,(H,23,24,26).
What are the key properties of 2-(6-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(6-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 354.43 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 138594964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).