3,4-dihydro-2H-quinolin-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-benzodioxole;bis(4-(2,2-dimethylpropyl)-2-methyl-2-(2-phenylethyl)-1,3-benzodioxole);[3-(2,2-dimethylpropyl)phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane

C122H155N3O10 — CID 157261848

IUPAC3,4-dihydro-2H-quinolin-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-benzodioxole;bis(4-(2,2-dimethylpropyl)-2-methyl-2-(2-phenylethyl)-1,3-benzodioxole);[3-(2,2-dimethylpropyl)phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane
SMILESC.CC(C)(C)Cc1cccc(C(=O)N2CCCc3ccccc32)c1.CC(C)(C)Cc1cccc2c1OC(C)(C)O2.CC(C)(C)Cc1cccc2c1OC(C)(CCc1ccccc1)O2.CC(C)(C)Cc1cccc2c1OC(C)(CCc1ccccc1)O2.COc1ccc2c(c1)CCCN2C(=O)c1cccc(CC(C)(C)C)c1.Cc1ccc2c(c1)CCCN2C(=O)c1cccc(CC(C)(C)C)c1
InChIInChI=1S/C22H27NO2.C22H27NO.C21H25NO.2C21H26O2.C14H20O2.CH4/c1-22(2,3)15-16-7-5-8-18(13-16)21(24)23-12-6-9-17-14-19(25-4)10-11-20(17)23;1-16-10-11-20-18(13-16)9-6-12-23(20)21(24)19-8-5-7-17(14-19)15-22(2,3)4;1-21(2,3)15-16-8-6-10-18(14-16)20(23)22-13-7-11-17-9-4-5-12-19(17)22;2*1-20(2,3)15-17-11-8-12-18-19(17)23-21(4,22-18)14-13-16-9-6-5-7-10-16;1-13(2,3)9-10-7-6-8-11-12(10)16-14(4,5)15-11;/h5,7-8,10-11,13-14H,6,9,12,15H2,1-4H3;5,7-8,10-11,13-14H,6,9,12,15H2,1-4H3;4-6,8-10,12,14H,7,11,13,15H2,1-3H3;2*5-12H,13-15H2,1-4H3;6-8H,9H2,1-5H3;1H4
InChIKeyAXNZIZAGAQJBPW-UHFFFAOYSA-N
MW1823.59 g/mol
LogP30.13
Rot. Bonds16

About 3,4-dihydro-2H-quinolin-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-benzodioxole;bis(4-(2,2-dimethylpropyl)-2-methyl-2-(2-phenylethyl)-1,3-benzodioxole);[3-(2,2-dimethylpropyl)phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane

3,4-dihydro-2H-quinolin-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-benzodioxole;bis(4-(2,2-dimethylpropyl)-2-methyl-2-(2-phenylethyl)-1,3-benzodioxole);[3-(2,2-dimethylpropyl)phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane (PubChem CID 157261848) has the molecular formula C122H155N3O10 and a molecular weight of 1823.59 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-benzodioxole;bis(4-(2,2-dimethylpropyl)-2-methyl-2-(2-phenylethyl)-1,3-benzodioxole);[3-(2,2-dimethylpropyl)phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-benzodioxole;bis(4-(2,2-dimethylpropyl)-2-methyl-2-(2-phenylethyl)-1,3-benzodioxole);[3-(2,2-dimethylpropyl)phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane
PubChem CID157261848
Molecular FormulaC122H155N3O10
Molecular Weight1823.59 g/mol
Exact Mass1822.17
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-benzodioxole;bis(4-(2,2-dimethylpropyl)-2-methyl-2-(2-phenylethyl)-1,3-benzodioxole);[3-(2,2-dimethylpropyl)phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane
SMILESC.CC(C)(C)Cc1cccc(C(=O)N2CCCc3ccccc32)c1.CC(C)(C)Cc1cccc2c1OC(C)(C)O2.CC(C)(C)Cc1cccc2c1OC(C)(CCc1ccccc1)O2.CC(C)(C)Cc1cccc2c1OC(C)(CCc1ccccc1)O2.COc1ccc2c(c1)CCCN2C(=O)c1cccc(CC(C)(C)C)c1.Cc1ccc2c(c1)CCCN2C(=O)c1cccc(CC(C)(C)C)c1
InChIInChI=1S/C22H27NO2.C22H27NO.C21H25NO.2C21H26O2.C14H20O2.CH4/c1-22(2,3)15-16-7-5-8-18(13-16)21(24)23-12-6-9-17-14-19(25-4)10-11-20(17)23;1-16-10-11-20-18(13-16)9-6-12-23(20)21(24)19-8-5-7-17(14-19)15-22(2,3)4;1-21(2,3)15-16-8-6-10-18(14-16)20(23)22-13-7-11-17-9-4-5-12-19(17)22;2*1-20(2,3)15-17-11-8-12-18-19(17)23-21(4,22-18)14-13-16-9-6-5-7-10-16;1-13(2,3)9-10-7-6-8-11-12(10)16-14(4,5)15-11;/h5,7-8,10-11,13-14H,6,9,12,15H2,1-4H3;5,7-8,10-11,13-14H,6,9,12,15H2,1-4H3;4-6,8-10,12,14H,7,11,13,15H2,1-3H3;2*5-12H,13-15H2,1-4H3;6-8H,9H2,1-5H3;1H4
InChIKeyAXNZIZAGAQJBPW-UHFFFAOYSA-N
XLogP30.13
TPSA125.54 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001823.59
LogP ≤ 530.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3,4-dihydro-2H-quinolin-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-benzodioxole;bis(4-(2,2-dimethylpropyl)-2-methyl-2-(2-phenylethyl)-1,3-benzodioxole);[3-(2,2-dimethylpropyl)phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-benzodioxole;bis(4-(2,2-dimethylpropyl)-2-methyl-2-(2-phenylethyl)-1,3-benzodioxole);[3-(2,2-dimethylpropyl)phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-benzodioxole;bis(4-(2,2-dimethylpropyl)-2-methyl-2-(2-phenylethyl)-1,3-benzodioxole);[3-(2,2-dimethylpropyl)phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane (CID 157261848) is 3,4-dihydro-2H-quinolin-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-benzodioxole;bis(4-(2,2-dimethylpropyl)-2-methyl-2-(2-phenylethyl)-1,3-benzodioxole);[3-(2,2-dimethylpropyl)phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-benzodioxole;bis(4-(2,2-dimethylpropyl)-2-methyl-2-(2-phenylethyl)-1,3-benzodioxole);[3-(2,2-dimethylpropyl)phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-benzodioxole;bis(4-(2,2-dimethylpropyl)-2-methyl-2-(2-phenylethyl)-1,3-benzodioxole);[3-(2,2-dimethylpropyl)phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane is C.CC(C)(C)Cc1cccc(C(=O)N2CCCc3ccccc32)c1.CC(C)(C)Cc1cccc2c1OC(C)(C)O2.CC(C)(C)Cc1cccc2c1OC(C)(CCc1ccccc1)O2.CC(C)(C)Cc1cccc2c1OC(C)(CCc1ccccc1)O2.COc1ccc2c(c1)CCCN2C(=O)c1cccc(CC(C)(C)C)c1.Cc1ccc2c(c1)CCCN2C(=O)c1cccc(CC(C)(C)C)c1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-benzodioxole;bis(4-(2,2-dimethylpropyl)-2-methyl-2-(2-phenylethyl)-1,3-benzodioxole);[3-(2,2-dimethylpropyl)phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane?
The InChIKey is AXNZIZAGAQJBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2.C22H27NO.C21H25NO.2C21H26O2.C14H20O2.CH4/c1-22(2,3)15-16-7-5-8-18(13-16)21(24)23-12-6-9-17-14-19(25-4)10-11-20(17)23;1-16-10-11-20-18(13-16)9-6-12-23(20)21(24)19-8-5-7-17(14-19)15-22(2,3)4;1-21(2,3)15-16-8-6-10-18(14-16)20(23)22-13-7-11-17-9-4-5-12-19(17)22;2*1-20(2,3)15-17-11-8-12-18-19(17)23-21(4,22-18)14-13-16-9-6-5-7-10-16;1-13(2,3)9-10-7-6-8-11-12(10)16-14(4,5)15-11;/h5,7-8,10-11,13-14H,6,9,12,15H2,1-4H3;5,7-8,10-11,13-14H,6,9,12,15H2,1-4H3;4-6,8-10,12,14H,7,11,13,15H2,1-3H3;2*5-12H,13-15H2,1-4H3;6-8H,9H2,1-5H3;1H4.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-benzodioxole;bis(4-(2,2-dimethylpropyl)-2-methyl-2-(2-phenylethyl)-1,3-benzodioxole);[3-(2,2-dimethylpropyl)phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane?
3,4-dihydro-2H-quinolin-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-benzodioxole;bis(4-(2,2-dimethylpropyl)-2-methyl-2-(2-phenylethyl)-1,3-benzodioxole);[3-(2,2-dimethylpropyl)phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane has a molecular weight of 1823.59 g/mol, XLogP of 30.13, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-benzodioxole;bis(4-(2,2-dimethylpropyl)-2-methyl-2-(2-phenylethyl)-1,3-benzodioxole);[3-(2,2-dimethylpropyl)phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane is sourced from PubChem (CID 157261848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).