7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one

C21H23N7O — CID 146275593

IUPAC7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one
SMILESCc1cc2ncccc2cc1Nc1ncc2c(n1)n(C1CCNCC1)c(=O)n2C
InChIInChI=1S/C21H23N7O/c1-13-10-17-14(4-3-7-23-17)11-16(13)25-20-24-12-18-19(26-20)28(21(29)27(18)2)15-5-8-22-9-6-15/h3-4,7,10-12,15,22H,5-6,8-9H2,1-2H3,(H,24,25,26)
InChIKeyBUAYUJMPGUYFPI-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.65
Rot. Bonds3

About 7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one

7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one (PubChem CID 146275593) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one.

Molecular Properties

Compound Name7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one
PubChem CID146275593
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one
SMILESCc1cc2ncccc2cc1Nc1ncc2c(n1)n(C1CCNCC1)c(=O)n2C
InChIInChI=1S/C21H23N7O/c1-13-10-17-14(4-3-7-23-17)11-16(13)25-20-24-12-18-19(26-20)28(21(29)27(18)2)15-5-8-22-9-6-15/h3-4,7,10-12,15,22H,5-6,8-9H2,1-2H3,(H,24,25,26)
InChIKeyBUAYUJMPGUYFPI-UHFFFAOYSA-N
XLogP2.65
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-[(3S)-pyrrolidin-3-yl]purin-8-one
CID 146273873
9-(4-hydroxy-4-methylcyclohexyl)-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
CID 159157917
9-(1,1-dimethylthiepan-4-yl)-7-methyl-2-[(7-methylquinoxalin-6-yl)amino]purin-8-one
CID 176919004
7-methyl-2-[(7-methylcinnolin-6-yl)amino]-9-(oxan-3-yl)purin-8-one
CID 146275575
9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one
CID 177341135
9-(4-ethylcyclohexyl)-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)amino]purin-8-one
CID 176919124
7-methyl-2-[[4-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]amino]-9-(oxan-4-yl)purin-8-one
CID 164903320
3-(4,4-difluorocyclohexyl)-6-[(7-methylquinolin-6-yl)amino]-1,3,5,7-tetrazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 175591484
4-methyl-5-[[7-methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]amino]-2-(2-methylpyrazol-3-yl)benzonitrile
CID 164544728
2-[(6-deuteriooxy-4-methyl-3-pyridinyl)amino]-7-methyl-9-(oxan-4-yl)purin-8-one
CID 168776530
2-hydroxy-5-methyl-4-[[7-methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]amino]benzamide
CID 156889796
2-(4,5-difluoro-2-methylanilino)-7-methyl-9-(thiolan-3-yl)purin-8-one;propane
CID 176918891

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one?
The IUPAC name of 7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one (CID 146275593) is 7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one.
What is the SMILES notation for 7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one?
The canonical SMILES for 7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one is Cc1cc2ncccc2cc1Nc1ncc2c(n1)n(C1CCNCC1)c(=O)n2C.
What is the InChIKey of 7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one?
The InChIKey is BUAYUJMPGUYFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-13-10-17-14(4-3-7-23-17)11-16(13)25-20-24-12-18-19(26-20)28(21(29)27(18)2)15-5-8-22-9-6-15/h3-4,7,10-12,15,22H,5-6,8-9H2,1-2H3,(H,24,25,26).
What are the key properties of 7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one?
7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one has a molecular weight of 389.46 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one is sourced from PubChem (CID 146275593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).