6-(furan-2-yl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-4-methylphenyl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-5-methylphenyl)-11-methylindolizino[3,2-c]quinoline

C68H54N6O3 — CID 159882953

IUPAC6-(furan-2-yl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-4-methylphenyl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-5-methylphenyl)-11-methylindolizino[3,2-c]quinoline
SMILESCOc1cc(-c2nc3ccccc3c3cc4c(C)cccn4c23)ccc1C.COc1cc(C)cc(-c2nc3ccccc3c3cc4c(C)cccn4c23)c1.Cc1cccn2c1cc1c3ccccc3nc(-c3ccco3)c12
InChIInChI=1S/2C24H20N2O.C20H14N2O/c1-15-7-6-12-26-21(15)14-19-18-8-4-5-9-20(18)25-23(24(19)26)17-11-10-16(2)22(13-17)27-3;1-15-11-17(13-18(12-15)27-3)23-24-20(19-8-4-5-9-21(19)25-23)14-22-16(2)7-6-10-26(22)24;1-13-6-4-10-22-17(13)12-15-14-7-2-3-8-16(14)21-19(20(15)22)18-9-5-11-23-18/h2*4-14H,1-3H3;2-12H,1H3
InChIKeyNTTLFPUVXWWPOA-UHFFFAOYSA-N
MW1003.22 g/mol
LogP17.08
Rot. Bonds5

About 6-(furan-2-yl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-4-methylphenyl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-5-methylphenyl)-11-methylindolizino[3,2-c]quinoline

6-(furan-2-yl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-4-methylphenyl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-5-methylphenyl)-11-methylindolizino[3,2-c]quinoline (PubChem CID 159882953) has the molecular formula C68H54N6O3 and a molecular weight of 1003.22 g/mol. Its IUPAC name is 6-(furan-2-yl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-4-methylphenyl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-5-methylphenyl)-11-methylindolizino[3,2-c]quinoline.

Molecular Properties

Compound Name6-(furan-2-yl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-4-methylphenyl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-5-methylphenyl)-11-methylindolizino[3,2-c]quinoline
PubChem CID159882953
Molecular FormulaC68H54N6O3
Molecular Weight1003.22 g/mol
Exact Mass1002.43
IUPAC Name6-(furan-2-yl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-4-methylphenyl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-5-methylphenyl)-11-methylindolizino[3,2-c]quinoline
SMILESCOc1cc(-c2nc3ccccc3c3cc4c(C)cccn4c23)ccc1C.COc1cc(C)cc(-c2nc3ccccc3c3cc4c(C)cccn4c23)c1.Cc1cccn2c1cc1c3ccccc3nc(-c3ccco3)c12
InChIInChI=1S/2C24H20N2O.C20H14N2O/c1-15-7-6-12-26-21(15)14-19-18-8-4-5-9-20(18)25-23(24(19)26)17-11-10-16(2)22(13-17)27-3;1-15-11-17(13-18(12-15)27-3)23-24-20(19-8-4-5-9-21(19)25-23)14-22-16(2)7-6-10-26(22)24;1-13-6-4-10-22-17(13)12-15-14-7-2-3-8-16(14)21-19(20(15)22)18-9-5-11-23-18/h2*4-14H,1-3H3;2-12H,1H3
InChIKeyNTTLFPUVXWWPOA-UHFFFAOYSA-N
XLogP17.08
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.22
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(furan-2-yl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-4-methylphenyl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-5-methylphenyl)-11-methylindolizino[3,2-c]quinoline with MolForge

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Related Compounds

6-(Furan-2-yl)-11-methylindolizino[3,2-c]quinoline
CID 118970839
6-(1-Benzofuran-2-yl)-11-methylindolizino[3,2-c]quinoline
CID 168277372
22'-Methyl-12-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-1-ium-1-yl]methyl]spiro[24-oxa-11-azoniahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene-13,14'-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene]
CID 123794045
8-[6-[6-(2,4,6-Trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 139573900
8-[6-[4-(2,4,6-Trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[4-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 153311737
8-[6-[5-(2,4,6-Trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 153311750
4-[3,5-Bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 158818009
CID 158849447
CID 158849447
7-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine;4-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-7-yl]benzonitrile;1-[(4-methoxyphenyl)methyl]-7-(4-nitrophenyl)pyrrolo[2,3-c]pyridine;1-[(4-methoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[2,3-c]pyridine;4-[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethylaniline;1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine
CID 159877052
4-[4-[8-[3,5-Bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[4-[8-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-4-[4-[8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[4-(3,4,5-trifluorophenyl)-2-pyridinyl]-4-[4-[8-[4-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 160428236
3-benzyl-4,5-dimethylpyridine;3,4-dimethyl-5-(naphthalen-1-ylmethyl)pyridine;3,4-dimethyl-5-[(4-nitrophenyl)methyl]pyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;3,4-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine;4-ethenyl-3,9-dimethylpyrido[3,4-b]indole;4-(furan-2-yl)-3-methylpyridine;4-[(E)-hept-1-enyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline
CID 161009920
8-[2-[5-[3-Methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]-4-[4-[8-[2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-4-[4-[8-[2-[6-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[4-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[4-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 161637768

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-4-methylphenyl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-5-methylphenyl)-11-methylindolizino[3,2-c]quinoline?
The IUPAC name of 6-(furan-2-yl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-4-methylphenyl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-5-methylphenyl)-11-methylindolizino[3,2-c]quinoline (CID 159882953) is 6-(furan-2-yl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-4-methylphenyl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-5-methylphenyl)-11-methylindolizino[3,2-c]quinoline.
What is the SMILES notation for 6-(furan-2-yl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-4-methylphenyl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-5-methylphenyl)-11-methylindolizino[3,2-c]quinoline?
The canonical SMILES for 6-(furan-2-yl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-4-methylphenyl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-5-methylphenyl)-11-methylindolizino[3,2-c]quinoline is COc1cc(-c2nc3ccccc3c3cc4c(C)cccn4c23)ccc1C.COc1cc(C)cc(-c2nc3ccccc3c3cc4c(C)cccn4c23)c1.Cc1cccn2c1cc1c3ccccc3nc(-c3ccco3)c12.
What is the InChIKey of 6-(furan-2-yl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-4-methylphenyl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-5-methylphenyl)-11-methylindolizino[3,2-c]quinoline?
The InChIKey is NTTLFPUVXWWPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H20N2O.C20H14N2O/c1-15-7-6-12-26-21(15)14-19-18-8-4-5-9-20(18)25-23(24(19)26)17-11-10-16(2)22(13-17)27-3;1-15-11-17(13-18(12-15)27-3)23-24-20(19-8-4-5-9-21(19)25-23)14-22-16(2)7-6-10-26(22)24;1-13-6-4-10-22-17(13)12-15-14-7-2-3-8-16(14)21-19(20(15)22)18-9-5-11-23-18/h2*4-14H,1-3H3;2-12H,1H3.
What are the key properties of 6-(furan-2-yl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-4-methylphenyl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-5-methylphenyl)-11-methylindolizino[3,2-c]quinoline?
6-(furan-2-yl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-4-methylphenyl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-5-methylphenyl)-11-methylindolizino[3,2-c]quinoline has a molecular weight of 1003.22 g/mol, XLogP of 17.08, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-4-methylphenyl)-11-methylindolizino[3,2-c]quinoline;6-(3-methoxy-5-methylphenyl)-11-methylindolizino[3,2-c]quinoline is sourced from PubChem (CID 159882953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).