benzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline

C91H150N10O2 — CID 161131240

IUPACbenzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2ccccc2n1.CC(C)c1cccc2c1cnn2C.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)n1cccn1.CC(C)n1ncc2ccccc21.c1ccccc1
InChIInChI=1S/C12H13N.C11H14N2.C11H14O2.C10H12N2.C8H11N.C7H12N2.C6H10N2.C6H6.C4H10.8C2H6/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)8-5-3-4-7-8;1-2-4-6-5-3-1;1-4(2)3;8*1-2/h3-9H,1-2H3;4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;1-6H;4H,1-3H3;8*1-2H3
InChIKeyUMFGNUPHBHCXNS-UHFFFAOYSA-N
MW1416.27 g/mol
LogP28.02
Rot. Bonds7

About benzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline

benzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline (PubChem CID 161131240) has the molecular formula C91H150N10O2 and a molecular weight of 1416.27 g/mol. Its IUPAC name is benzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline.

Molecular Properties

Compound Namebenzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline
PubChem CID161131240
Molecular FormulaC91H150N10O2
Molecular Weight1416.27 g/mol
Exact Mass1415.19
IUPAC Namebenzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2ccccc2n1.CC(C)c1cccc2c1cnn2C.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)n1cccn1.CC(C)n1ncc2ccccc21.c1ccccc1
InChIInChI=1S/C12H13N.C11H14N2.C11H14O2.C10H12N2.C8H11N.C7H12N2.C6H10N2.C6H6.C4H10.8C2H6/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)8-5-3-4-7-8;1-2-4-6-5-3-1;1-4(2)3;8*1-2/h3-9H,1-2H3;4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;1-6H;4H,1-3H3;8*1-2H3
InChIKeyUMFGNUPHBHCXNS-UHFFFAOYSA-N
XLogP28.02
TPSA115.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001416.27
LogP ≤ 528.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze benzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline with MolForge

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Related Compounds

Lomonitinib
CID 171775678
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine
CID 11948421
4-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-6-methoxyquinoline
CID 44425384
4-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]-6-methoxyquinoline
CID 44425385
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine
CID 44425386
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-8,9-dihydro-1H-[1,4]dioxino[2,3-g]pyrazolo[4,3-c]quinoline
CID 20852648
12-(4-Fluorophenyl)-18-methoxy-19-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4,6,8,16,18,20-heptaene
CID 131978589
12-(4-Fluorophenyl)-6,18-dimethoxy-19-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4(9),5,7,16,18,20-heptaene
CID 131978595
12-(4-Fluorophenyl)-6,19-dimethoxy-18-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4(9),5,7,16,18,20-heptaene
CID 131978815
12-(4-Fluorophenyl)-19-methoxy-18-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4,6,8,16,18,20-heptaene
CID 131978816
2-[[1-(4-Cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxymethyl]benzonitrile;4-[8-(difluoromethoxy)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[difluoro(phenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile
CID 161188288
4-[2-[4-[1-(3,4-Dimethylphenyl)-8-(trifluoromethoxy)pyrazolo[4,3-c]quinolin-3-yl]-2-methoxyphenoxy]ethyl]morpholine
CID 171853928

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline?
The IUPAC name of benzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline (CID 161131240) is benzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline.
What is the SMILES notation for benzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline?
The canonical SMILES for benzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2ccccc2n1.CC(C)c1cccc2c1cnn2C.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)n1cccn1.CC(C)n1ncc2ccccc21.c1ccccc1.
What is the InChIKey of benzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline?
The InChIKey is UMFGNUPHBHCXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C11H14N2.C11H14O2.C10H12N2.C8H11N.C7H12N2.C6H10N2.C6H6.C4H10.8C2H6/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)8-5-3-4-7-8;1-2-4-6-5-3-1;1-4(2)3;8*1-2/h3-9H,1-2H3;4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;1-6H;4H,1-3H3;8*1-2H3.
What are the key properties of benzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline?
benzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline has a molecular weight of 1416.27 g/mol, XLogP of 28.02, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline is sourced from PubChem (CID 161131240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).