N-(6,7-dihydro-3H-imidazo[4,5-f]quinolin-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine

C24H23N9OS — CID 123881060

IUPACN-(6,7-dihydro-3H-imidazo[4,5-f]quinolin-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine
SMILESC1=Cc2c(ccc3[nH]c(CNc4nc(N5CCOCC5)nc5c4ncn5-c4ccsc4)nc23)NC1
InChIInChI=1S/C24H23N9OS/c1-2-16-17(25-6-1)3-4-18-20(16)29-19(28-18)12-26-22-21-23(33(14-27-21)15-5-11-35-13-15)31-24(30-22)32-7-9-34-10-8-32/h1-5,11,13-14,25H,6-10,12H2,(H,28,29)(H,26,30,31)
InChIKeyZOYHTTHNYISVPT-UHFFFAOYSA-N
MW485.58 g/mol
LogP3.64
Rot. Bonds5

About N-(6,7-dihydro-3H-imidazo[4,5-f]quinolin-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine

N-(6,7-dihydro-3H-imidazo[4,5-f]quinolin-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine (PubChem CID 123881060) has the molecular formula C24H23N9OS and a molecular weight of 485.58 g/mol. Its IUPAC name is N-(6,7-dihydro-3H-imidazo[4,5-f]quinolin-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-3H-imidazo[4,5-f]quinolin-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine
PubChem CID123881060
Molecular FormulaC24H23N9OS
Molecular Weight485.58 g/mol
Exact Mass485.17
IUPAC NameN-(6,7-dihydro-3H-imidazo[4,5-f]quinolin-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine
SMILESC1=Cc2c(ccc3[nH]c(CNc4nc(N5CCOCC5)nc5c4ncn5-c4ccsc4)nc23)NC1
InChIInChI=1S/C24H23N9OS/c1-2-16-17(25-6-1)3-4-18-20(16)29-19(28-18)12-26-22-21-23(33(14-27-21)15-5-11-35-13-15)31-24(30-22)32-7-9-34-10-8-32/h1-5,11,13-14,25H,6-10,12H2,(H,28,29)(H,26,30,31)
InChIKeyZOYHTTHNYISVPT-UHFFFAOYSA-N
XLogP3.64
TPSA108.81 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

1-((trans)-4-morpholinocyclohexyl)-3-(2-(thiophen-2-ylmethyl)-1H-benzo[d]imidazol-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 25218686
2-(4-morpholinyl)-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]-9-(3-thiophenyl)-6-purinamine
CID 45100431
N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 24936353
1-((1r,4r)-4-morpholinocyclohexyl)-3-(2-(thiophen-3-ylmethyl)-1H-benzo[d]imidazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 44441728
N-(3-(1H-benzo[d]imidazol-2-ylamino)benzyl)thieno[3,2-d]pyrimidin-4-amine
CID 46883056
1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine
CID 134156928
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine
CID 145970268
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine
CID 145975408
N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 155530163
1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-3-methylurea
CID 155533579
3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-(2-(thiophen-2-yl)ethylamino)pyridin-2(1H)-one
CID 135681672
3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-(thiophen-2-ylmethylamino)pyridin-2(1H)-one
CID 135681794

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-3H-imidazo[4,5-f]quinolin-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine?
The IUPAC name of N-(6,7-dihydro-3H-imidazo[4,5-f]quinolin-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine (CID 123881060) is N-(6,7-dihydro-3H-imidazo[4,5-f]quinolin-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine.
What is the SMILES notation for N-(6,7-dihydro-3H-imidazo[4,5-f]quinolin-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine?
The canonical SMILES for N-(6,7-dihydro-3H-imidazo[4,5-f]quinolin-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine is C1=Cc2c(ccc3[nH]c(CNc4nc(N5CCOCC5)nc5c4ncn5-c4ccsc4)nc23)NC1.
What is the InChIKey of N-(6,7-dihydro-3H-imidazo[4,5-f]quinolin-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine?
The InChIKey is ZOYHTTHNYISVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9OS/c1-2-16-17(25-6-1)3-4-18-20(16)29-19(28-18)12-26-22-21-23(33(14-27-21)15-5-11-35-13-15)31-24(30-22)32-7-9-34-10-8-32/h1-5,11,13-14,25H,6-10,12H2,(H,28,29)(H,26,30,31).
What are the key properties of N-(6,7-dihydro-3H-imidazo[4,5-f]quinolin-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine?
N-(6,7-dihydro-3H-imidazo[4,5-f]quinolin-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine has a molecular weight of 485.58 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-3H-imidazo[4,5-f]quinolin-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine is sourced from PubChem (CID 123881060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).