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;methane

C101H132N2O9 — CID 160978546

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;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;methane (PubChem CID 160978546) has the molecular formula C101H132N2O9 and a molecular weight of 1518.17 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;methane.

Molecular Properties

• Compound Name: 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;methane
• PubChem CID: 160978546
• Molecular Formula: C101H132N2O9
• Molecular Weight: 1518.17 g/mol
• Exact Mass: 1516.99
• IUPAC Name: 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;methane
• SMILES: C.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
• InChI: InChI=1S/C22H27NO2.C21H25NO.2C21H26O2.C14H20O2.2CH4/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;1-21(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;4-6,8-10,12,14H,7,11,13,15H2,1-3H3;2*5-12H,13-15H2,1-4H3;6-8H,9H2,1-5H3;2*1H4
• InChIKey: SZEXFQSSSOTILU-UHFFFAOYSA-N
• XLogP: 25.59
• TPSA: 105.23 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1518.17
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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;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;methane (CID 160978546) 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;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;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;methane is C.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.

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;methane?

The InChIKey is SZEXFQSSSOTILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2.C21H25NO.2C21H26O2.C14H20O2.2CH4/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;1-21(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;4-6,8-10,12,14H,7,11,13,15H2,1-3H3;2*5-12H,13-15H2,1-4H3;6-8H,9H2,1-5H3;2*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;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;methane has a molecular weight of 1518.17 g/mol, XLogP of 25.59, 14 rotatable bonds, 0 hydrogen bond donors, and 9 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;methane is sourced from PubChem (CID 160978546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).