3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one

C21H22N6O — CID 156889079

IUPAC3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one
SMILESCn1cc2cc(-n3cnc4cc(NC5CCNCC5)ccc4c3=O)ccc2n1
InChIInChI=1S/C21H22N6O/c1-26-12-14-10-17(3-5-19(14)25-26)27-13-23-20-11-16(2-4-18(20)21(27)28)24-15-6-8-22-9-7-15/h2-5,10-13,15,22,24H,6-9H2,1H3
InChIKeyFJFJUTIMCWBLPY-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.44
Rot. Bonds3

About 3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one

3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one (PubChem CID 156889079) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one
PubChem CID156889079
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one
SMILESCn1cc2cc(-n3cnc4cc(NC5CCNCC5)ccc4c3=O)ccc2n1
InChIInChI=1S/C21H22N6O/c1-26-12-14-10-17(3-5-19(14)25-26)27-13-23-20-11-16(2-4-18(20)21(27)28)24-15-6-8-22-9-7-15/h2-5,10-13,15,22,24H,6-9H2,1H3
InChIKeyFJFJUTIMCWBLPY-UHFFFAOYSA-N
XLogP2.44
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one
CID 156889049
7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one
CID 156888988
3-[3-(2-methylindazol-5-yl)-4-oxoquinazolin-7-yl]-8-borabicyclo[3.2.1]oct-2-ene-8-carbonitrile
CID 156889303
3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one
CID 156888276
1-methyl-5-(piperidin-4-ylamino)pyridin-2-one
CID 61020667
3-(4-bromophenyl)-10-(cyclopropylamino)-6-methylpyrimido[4,5-h][1,3]thiazonin-4-one
CID 71190960
N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine
CID 113361498
1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione
CID 170350224
6-(azepan-4-ylamino)-2H-isoquinolin-1-one
CID 59290710
2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 156888108
2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 156888103
3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylquinazolin-4-one
CID 156889009

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one?
The IUPAC name of 3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one (CID 156889079) is 3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one.
What is the SMILES notation for 3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one?
The canonical SMILES for 3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one is Cn1cc2cc(-n3cnc4cc(NC5CCNCC5)ccc4c3=O)ccc2n1.
What is the InChIKey of 3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one?
The InChIKey is FJFJUTIMCWBLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-26-12-14-10-17(3-5-19(14)25-26)27-13-23-20-11-16(2-4-18(20)21(27)28)24-15-6-8-22-9-7-15/h2-5,10-13,15,22,24H,6-9H2,1H3.
What are the key properties of 3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one?
3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one has a molecular weight of 374.45 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one is sourced from PubChem (CID 156889079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).