3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one

C20H19FN6O — CID 156888276

IUPAC3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one
SMILESCn1cc2cc(-n3cnc4ccc(N5CCNCC5)cc4c3=O)cc(F)c2n1
InChIInChI=1S/C20H19FN6O/c1-25-11-13-8-15(10-17(21)19(13)24-25)27-12-23-18-3-2-14(9-16(18)20(27)28)26-6-4-22-5-7-26/h2-3,8-12,22H,4-7H2,1H3
InChIKeyHPRDZFUJDGWWFS-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.82
Rot. Bonds2

About 3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one

3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one (PubChem CID 156888276) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one.

Molecular Properties

Compound Name3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one
PubChem CID156888276
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one
SMILESCn1cc2cc(-n3cnc4ccc(N5CCNCC5)cc4c3=O)cc(F)c2n1
InChIInChI=1S/C20H19FN6O/c1-25-11-13-8-15(10-17(21)19(13)24-25)27-12-23-18-3-2-14(9-16(18)20(27)28)26-6-4-22-5-7-26/h2-3,8-12,22H,4-7H2,1H3
InChIKeyHPRDZFUJDGWWFS-UHFFFAOYSA-N
XLogP1.82
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one?
The IUPAC name of 3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one (CID 156888276) is 3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one.
What is the SMILES notation for 3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one?
The canonical SMILES for 3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one is Cn1cc2cc(-n3cnc4ccc(N5CCNCC5)cc4c3=O)cc(F)c2n1.
What is the InChIKey of 3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one?
The InChIKey is HPRDZFUJDGWWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-25-11-13-8-15(10-17(21)19(13)24-25)27-12-23-18-3-2-14(9-16(18)20(27)28)26-6-4-22-5-7-26/h2-3,8-12,22H,4-7H2,1H3.
What are the key properties of 3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one?
3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one has a molecular weight of 378.41 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one is sourced from PubChem (CID 156888276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).