7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one

C21H23N7O — CID 155776851

IUPAC7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one
SMILESCc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@@H]1CCN(C)C1)c(=O)n2C
InChIInChI=1S/C21H23N7O/c1-13-9-17-14(5-4-7-22-17)10-16(13)24-20-23-11-18-19(25-20)28(21(29)27(18)3)15-6-8-26(2)12-15/h4-5,7,9-11,15H,6,8,12H2,1-3H3,(H,23,24,25)/t15-/m1/s1
InChIKeyBKFQDJSERMBSAM-OAHLLOKOSA-N
MW389.46 g/mol
LogP2.61
Rot. Bonds3

About 7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one

7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one (PubChem CID 155776851) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one.

Molecular Properties

Compound Name7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one
PubChem CID155776851
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one
SMILESCc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@@H]1CCN(C)C1)c(=O)n2C
InChIInChI=1S/C21H23N7O/c1-13-9-17-14(5-4-7-22-17)10-16(13)24-20-23-11-18-19(25-20)28(21(29)27(18)3)15-6-8-26(2)12-15/h4-5,7,9-11,15H,6,8,12H2,1-3H3,(H,23,24,25)/t15-/m1/s1
InChIKeyBKFQDJSERMBSAM-OAHLLOKOSA-N
XLogP2.61
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-3,4-dimethylimidazo(4,5-f)quinoline
CID 62274
3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide
CID 5163
Apto-253
CID 11960271
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
Zipalertinib
CID 117918742
Sch-79797
CID 4259181
9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
CID 146273897
Bms-986299
CID 137498152
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
1-Phenyl-3-(2-(pyridin-2-yl)quinazolin-4-yl)urea
CID 10712256
3-[cis-3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16214946

Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one?
The IUPAC name of 7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one (CID 155776851) is 7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one.
What is the SMILES notation for 7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one?
The canonical SMILES for 7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one is Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@@H]1CCN(C)C1)c(=O)n2C.
What is the InChIKey of 7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one?
The InChIKey is BKFQDJSERMBSAM-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N7O/c1-13-9-17-14(5-4-7-22-17)10-16(13)24-20-23-11-18-19(25-20)28(21(29)27(18)3)15-6-8-26(2)12-15/h4-5,7,9-11,15H,6,8,12H2,1-3H3,(H,23,24,25)/t15-/m1/s1.
What are the key properties of 7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one?
7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one has a molecular weight of 389.46 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one is sourced from PubChem (CID 155776851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).