3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline;7-(3,4-dimethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline

C52H44N8O5 — CID 159582052

IUPAC3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline;7-(3,4-dimethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline
SMILESCOc1ccnc(CCc2nc3cc4ccccc4nc3n2-c2ccc3cccc-3o2)c1.COc1ccnc(CCc2nc3nc4ccc(-c5ccc(OC)c(OC)c5)cc4cc3[nH]2)c1
InChIInChI=1S/C26H24N4O3.C26H20N4O2/c1-31-20-10-11-27-19(15-20)6-9-25-28-22-13-18-12-16(4-7-21(18)29-26(22)30-25)17-5-8-23(32-2)24(14-17)33-3;1-31-20-13-14-27-19(16-20)10-11-24-28-22-15-18-5-2-3-7-21(18)29-26(22)30(24)25-12-9-17-6-4-8-23(17)32-25/h4-5,7-8,10-15H,6,9H2,1-3H3,(H,28,29,30);2-9,12-16H,10-11H2,1H3
InChIKeyMJDIFBULCRJMAY-UHFFFAOYSA-N
MW860.98 g/mol
LogP10.44
Rot. Bonds12

About 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline;7-(3,4-dimethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline

3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline;7-(3,4-dimethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline (PubChem CID 159582052) has the molecular formula C52H44N8O5 and a molecular weight of 860.98 g/mol. Its IUPAC name is 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline;7-(3,4-dimethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline.

Molecular Properties

Compound Name3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline;7-(3,4-dimethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline
PubChem CID159582052
Molecular FormulaC52H44N8O5
Molecular Weight860.98 g/mol
Exact Mass860.34
IUPAC Name3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline;7-(3,4-dimethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline
SMILESCOc1ccnc(CCc2nc3cc4ccccc4nc3n2-c2ccc3cccc-3o2)c1.COc1ccnc(CCc2nc3nc4ccc(-c5ccc(OC)c(OC)c5)cc4cc3[nH]2)c1
InChIInChI=1S/C26H24N4O3.C26H20N4O2/c1-31-20-10-11-27-19(15-20)6-9-25-28-22-13-18-12-16(4-7-21(18)29-26(22)30-25)17-5-8-23(32-2)24(14-17)33-3;1-31-20-13-14-27-19(16-20)10-11-24-28-22-15-18-5-2-3-7-21(18)29-26(22)30(24)25-12-9-17-6-4-8-23(17)32-25/h4-5,7-8,10-15H,6,9H2,1-3H3,(H,28,29,30);2-9,12-16H,10-11H2,1H3
InChIKeyMJDIFBULCRJMAY-UHFFFAOYSA-N
XLogP10.44
TPSA148.12 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500860.98
LogP ≤ 510.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline;7-(3,4-dimethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline with MolForge

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Related Compounds

8-(2H-benzotriazol-4-yl)-3-methyl-6-(pyridin-4-ylmethyl)quinoline;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;9-[(2-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 161025288
7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline
CID 10093589
N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
CID 59813649
3-Cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline
CID 69220525
[2-[ethyl-[6-(ethylamino)-3-[[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]methyl]-8-propan-2-yl-7H-purin-6-yl]amino]-8-propan-2-ylpurin-3-yl]-pyridin-4-ylmethanone
CID 70072541
4-[[3-(1-benzofuran-5-yl)phenyl]methyl]-8-[5-[3-[(3-oxopyrido[2,3-b]pyrazin-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrido[2,3-b]pyrazin-3-one
CID 123429404
ethane;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-quinolin-4-yloxybenzamide;molecular hydrogen;N-(quinolin-6-ylmethyl)-3-quinolin-4-yloxybenzamide
CID 155779094
3-[6-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoyl)phenoxy]quinolin-2-yl]quinolin-4-yl]oxy-N-(quinolin-6-ylmethyl)benzamide
CID 156063378
2-(2-tert-butyl-3H-pyrrol-5-yl)-6-methylpyridine;1-[2-(6,7-dimethylquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone;bis(5-methyl-1,3-benzodioxole);2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-imidazol-2-yl)benzamide
CID 157097126
4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide
CID 157197682
2-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-quinolin-3-ylpyrimidine-4-carboxamide
CID 157449692
22-[4-(4-Dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-(1,10-phenanthrolin-2-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,5,9,11,13,15(23),16,18,20-undecaene
CID 157982868

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline;7-(3,4-dimethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline?
The IUPAC name of 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline;7-(3,4-dimethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline (CID 159582052) is 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline;7-(3,4-dimethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline.
What is the SMILES notation for 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline;7-(3,4-dimethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline?
The canonical SMILES for 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline;7-(3,4-dimethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline is COc1ccnc(CCc2nc3cc4ccccc4nc3n2-c2ccc3cccc-3o2)c1.COc1ccnc(CCc2nc3nc4ccc(-c5ccc(OC)c(OC)c5)cc4cc3[nH]2)c1.
What is the InChIKey of 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline;7-(3,4-dimethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline?
The InChIKey is MJDIFBULCRJMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3.C26H20N4O2/c1-31-20-10-11-27-19(15-20)6-9-25-28-22-13-18-12-16(4-7-21(18)29-26(22)30-25)17-5-8-23(32-2)24(14-17)33-3;1-31-20-13-14-27-19(16-20)10-11-24-28-22-15-18-5-2-3-7-21(18)29-26(22)30(24)25-12-9-17-6-4-8-23(17)32-25/h4-5,7-8,10-15H,6,9H2,1-3H3,(H,28,29,30);2-9,12-16H,10-11H2,1H3.
What are the key properties of 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline;7-(3,4-dimethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline?
3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline;7-(3,4-dimethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline has a molecular weight of 860.98 g/mol, XLogP of 10.44, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline;7-(3,4-dimethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline is sourced from PubChem (CID 159582052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).