7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one

C23H25N5O — CID 156889025

IUPAC7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one
SMILESCc1cc(-c2ccc3c(=O)n(C4CCN(C)CC4)cnc3c2)cc2cn(C)nc12
InChIInChI=1S/C23H25N5O/c1-15-10-17(11-18-13-27(3)25-22(15)18)16-4-5-20-21(12-16)24-14-28(23(20)29)19-6-8-26(2)9-7-19/h4-5,10-14,19H,6-9H2,1-3H3
InChIKeyIJGVEBBKPRJRGY-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.53
Rot. Bonds2

About 7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one

7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one (PubChem CID 156889025) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one.

Molecular Properties

Compound Name7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one
PubChem CID156889025
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one
SMILESCc1cc(-c2ccc3c(=O)n(C4CCN(C)CC4)cnc3c2)cc2cn(C)nc12
InChIInChI=1S/C23H25N5O/c1-15-10-17(11-18-13-27(3)25-22(15)18)16-4-5-20-21(12-16)24-14-28(23(20)29)19-6-8-26(2)9-7-19/h4-5,10-14,19H,6-9H2,1-3H3
InChIKeyIJGVEBBKPRJRGY-UHFFFAOYSA-N
XLogP3.53
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one
CID 156888869
6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one
CID 156888169
7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one
CID 153382130
7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylquinazolin-4-one
CID 156889114
tert-butyl 4-[7-(2,7-dimethylindazol-5-yl)-5,8-difluoro-4-oxoquinazolin-3-yl]piperidine-1-carboxylate
CID 168756161
5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one
CID 156889101
5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole
CID 171760423
4-[2-(2,7-dimethylindazol-5-yl)-7-oxo-[1,3]thiazolo[5,4-d]pyrimidin-6-yl]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde
CID 156888120
7-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylisoquinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoxaline
CID 161237062
2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 156888103
6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383029
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113768

Frequently Asked Questions

What is the IUPAC name of 7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one?
The IUPAC name of 7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one (CID 156889025) is 7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one.
What is the SMILES notation for 7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one?
The canonical SMILES for 7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one is Cc1cc(-c2ccc3c(=O)n(C4CCN(C)CC4)cnc3c2)cc2cn(C)nc12.
What is the InChIKey of 7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one?
The InChIKey is IJGVEBBKPRJRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-15-10-17(11-18-13-27(3)25-22(15)18)16-4-5-20-21(12-16)24-14-28(23(20)29)19-6-8-26(2)9-7-19/h4-5,10-14,19H,6-9H2,1-3H3.
What are the key properties of 7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one?
7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one has a molecular weight of 387.49 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one is sourced from PubChem (CID 156889025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).