1-oxido-6-propan-2-ylquinolin-1-ium;1-oxido-7-propan-2-ylquinolin-1-ium;5-propan-2-yl-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline

C130H146N8O4 — CID 158386086

IUPAC1-oxido-6-propan-2-ylquinolin-1-ium;1-oxido-7-propan-2-ylquinolin-1-ium;5-propan-2-yl-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
SMILESCC(C)c1c[nH]c2ccccc12.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)OCCC2.CC(C)c1ccc2c(ccc[n+]2[O-])c1.CC(C)c1ccc2ccc[n+]([O-])c2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2ncccc12.CC(C)c1cnc2ccccc2c1
InChIInChI=1S/2C12H13NO.5C12H13N.C12H16O.C12H14.C11H13N.C11H12O/c1-9(2)10-5-6-12-11(8-10)4-3-7-13(12)14;1-9(2)11-6-5-10-4-3-7-13(14)12(10)8-11;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-3-4-11-10(7-9)5-6-12-11/h2*3-9H,1-2H3;5*3-9H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3,5-9H,4H2,1-2H3;3-8,12H,1-2H3;3-8H,1-2H3
InChIKeyGWJUTXUGQREAIX-UHFFFAOYSA-N
MW1884.65 g/mol
LogP35.35
Rot. Bonds11

About 1-oxido-6-propan-2-ylquinolin-1-ium;1-oxido-7-propan-2-ylquinolin-1-ium;5-propan-2-yl-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline

1-oxido-6-propan-2-ylquinolin-1-ium;1-oxido-7-propan-2-ylquinolin-1-ium;5-propan-2-yl-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline (PubChem CID 158386086) has the molecular formula C130H146N8O4 and a molecular weight of 1884.65 g/mol. Its IUPAC name is 1-oxido-6-propan-2-ylquinolin-1-ium;1-oxido-7-propan-2-ylquinolin-1-ium;5-propan-2-yl-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline.

Molecular Properties

Compound Name1-oxido-6-propan-2-ylquinolin-1-ium;1-oxido-7-propan-2-ylquinolin-1-ium;5-propan-2-yl-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
PubChem CID158386086
Molecular FormulaC130H146N8O4
Molecular Weight1884.65 g/mol
Exact Mass1883.15
IUPAC Name1-oxido-6-propan-2-ylquinolin-1-ium;1-oxido-7-propan-2-ylquinolin-1-ium;5-propan-2-yl-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
SMILESCC(C)c1c[nH]c2ccccc12.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)OCCC2.CC(C)c1ccc2c(ccc[n+]2[O-])c1.CC(C)c1ccc2ccc[n+]([O-])c2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2ncccc12.CC(C)c1cnc2ccccc2c1
InChIInChI=1S/2C12H13NO.5C12H13N.C12H16O.C12H14.C11H13N.C11H12O/c1-9(2)10-5-6-12-11(8-10)4-3-7-13(12)14;1-9(2)11-6-5-10-4-3-7-13(14)12(10)8-11;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-3-4-11-10(7-9)5-6-12-11/h2*3-9H,1-2H3;5*3-9H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3,5-9H,4H2,1-2H3;3-8,12H,1-2H3;3-8H,1-2H3
InChIKeyGWJUTXUGQREAIX-UHFFFAOYSA-N
XLogP35.35
TPSA156.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001884.65
LogP ≤ 535.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-oxido-6-propan-2-ylquinolin-1-ium;1-oxido-7-propan-2-ylquinolin-1-ium;5-propan-2-yl-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline with MolForge

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Related Compounds

10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide
CID 15156562
5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole
CID 141147368
2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-2,7-dimethylquinolin-3-yl]acetic acid
CID 145699147
1-[4-(4-Acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 160571960
9-[3-[8-[3-[3,6-Bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole
CID 58501556
[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-(2-methylphenyl)methanone;[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]-(3-ethylphenyl)methanone
CID 67671481
[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-indol-5-yl]-(3-propylphenyl)methanone;[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]-(2-butylphenyl)methanone
CID 67674513
[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-indol-5-yl]-(4-iodophenyl)methanone;[3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-benzofuran-5-yl]-(2-methoxyphenyl)methanone
CID 67674955
hexane 3-{1-(2-naphtho[1,2-b]furan-3-yl-ethyl)-piperidin-4-yl]-1H-indole
CID 86595773
1-(1-benzofuran-5-ylmethyl)-2-(1H-indol-5-ylmethyl)-1,2-bis[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]hydrazine
CID 87990998
9-Pyridin-4-yl-4-oxa-24-azahexacyclo[11.11.0.02,10.03,7.014,23.017,22]tetracosa-1(13),2,5,7,9,11,14(23),15,17,19,21-undecaene
CID 89951427
4,20-Bis(9-phenylcarbazol-3-yl)-12-oxa-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 89958487

Frequently Asked Questions

What is the IUPAC name of 1-oxido-6-propan-2-ylquinolin-1-ium;1-oxido-7-propan-2-ylquinolin-1-ium;5-propan-2-yl-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
The IUPAC name of 1-oxido-6-propan-2-ylquinolin-1-ium;1-oxido-7-propan-2-ylquinolin-1-ium;5-propan-2-yl-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline (CID 158386086) is 1-oxido-6-propan-2-ylquinolin-1-ium;1-oxido-7-propan-2-ylquinolin-1-ium;5-propan-2-yl-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline.
What is the SMILES notation for 1-oxido-6-propan-2-ylquinolin-1-ium;1-oxido-7-propan-2-ylquinolin-1-ium;5-propan-2-yl-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
The canonical SMILES for 1-oxido-6-propan-2-ylquinolin-1-ium;1-oxido-7-propan-2-ylquinolin-1-ium;5-propan-2-yl-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline is CC(C)c1c[nH]c2ccccc12.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)OCCC2.CC(C)c1ccc2c(ccc[n+]2[O-])c1.CC(C)c1ccc2ccc[n+]([O-])c2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2ncccc12.CC(C)c1cnc2ccccc2c1.
What is the InChIKey of 1-oxido-6-propan-2-ylquinolin-1-ium;1-oxido-7-propan-2-ylquinolin-1-ium;5-propan-2-yl-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
The InChIKey is GWJUTXUGQREAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13NO.5C12H13N.C12H16O.C12H14.C11H13N.C11H12O/c1-9(2)10-5-6-12-11(8-10)4-3-7-13(12)14;1-9(2)11-6-5-10-4-3-7-13(14)12(10)8-11;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-3-4-11-10(7-9)5-6-12-11/h2*3-9H,1-2H3;5*3-9H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3,5-9H,4H2,1-2H3;3-8,12H,1-2H3;3-8H,1-2H3.
What are the key properties of 1-oxido-6-propan-2-ylquinolin-1-ium;1-oxido-7-propan-2-ylquinolin-1-ium;5-propan-2-yl-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
1-oxido-6-propan-2-ylquinolin-1-ium;1-oxido-7-propan-2-ylquinolin-1-ium;5-propan-2-yl-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline has a molecular weight of 1884.65 g/mol, XLogP of 35.35, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-6-propan-2-ylquinolin-1-ium;1-oxido-7-propan-2-ylquinolin-1-ium;5-propan-2-yl-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline is sourced from PubChem (CID 158386086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).