6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine

C23H21N7O — CID 117088681

IUPAC6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine
SMILESCOc1ccc(CCNc2ncnc3nc(Nc4ccc5ncccc5c4)[nH]c23)cc1
InChIInChI=1S/C23H21N7O/c1-31-18-7-4-15(5-8-18)10-12-25-21-20-22(27-14-26-21)30-23(29-20)28-17-6-9-19-16(13-17)3-2-11-24-19/h2-9,11,13-14H,10,12H2,1H3,(H3,25,26,27,28,29,30)
InChIKeyVOCXNPZRWADJQA-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.31
Rot. Bonds7

About 6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine

6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine (PubChem CID 117088681) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine.

Molecular Properties

Compound Name6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine
PubChem CID117088681
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine
SMILESCOc1ccc(CCNc2ncnc3nc(Nc4ccc5ncccc5c4)[nH]c23)cc1
InChIInChI=1S/C23H21N7O/c1-31-18-7-4-15(5-8-18)10-12-25-21-20-22(27-14-26-21)30-23(29-20)28-17-6-9-19-16(13-17)3-2-11-24-19/h2-9,11,13-14H,10,12H2,1H3,(H3,25,26,27,28,29,30)
InChIKeyVOCXNPZRWADJQA-UHFFFAOYSA-N
XLogP4.31
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine 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

6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine
CID 117087853
1-[3-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117084800
6-N-[2-(4-methoxyphenyl)ethyl]-9-propan-2-yl-2-N-quinolin-6-ylpurine-2,6-diamine
CID 117083225
N-[2-(4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174186
4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol
CID 117092853
ethane;N-[2-[4-(1H-imidazo[4,5-b]pyridin-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 91097825
2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one
CID 135998458
6-N-(pyridin-3-ylmethyl)-8-N-(3,4,5-trimethoxyphenyl)-7H-purine-6,8-diamine
CID 117092412
N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine
CID 165347661
8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine
CID 117091695
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
N-[(4-ethoxyphenyl)methyl]quinolin-6-amine
CID 62636132

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine?
The IUPAC name of 6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine (CID 117088681) is 6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine.
What is the SMILES notation for 6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine?
The canonical SMILES for 6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine is COc1ccc(CCNc2ncnc3nc(Nc4ccc5ncccc5c4)[nH]c23)cc1.
What is the InChIKey of 6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine?
The InChIKey is VOCXNPZRWADJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-31-18-7-4-15(5-8-18)10-12-25-21-20-22(27-14-26-21)30-23(29-20)28-17-6-9-19-16(13-17)3-2-11-24-19/h2-9,11,13-14H,10,12H2,1H3,(H3,25,26,27,28,29,30).
What are the key properties of 6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine?
6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine has a molecular weight of 411.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine is sourced from PubChem (CID 117088681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).