2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;3-methyl-4-propan-2-ylisoquinoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;9-propan-2-ylacridine;9-propan-2-ylanthracene;9-propan-2-yl-1,2,3,4-tetrahydroacridine

C171H199N9O3S — CID 157131837

About 2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;3-methyl-4-propan-2-ylisoquinoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;9-propan-2-ylacridine;9-propan-2-ylanthracene;9-propan-2-yl-1,2,3,4-tetrahydroacridine

2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;3-methyl-4-propan-2-ylisoquinoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;9-propan-2-ylacridine;9-propan-2-ylanthracene;9-propan-2-yl-1,2,3,4-tetrahydroacridine (PubChem CID 157131837) has the molecular formula C171H199N9O3S and a molecular weight of 2460.60 g/mol. Its IUPAC name is 2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;3-methyl-4-propan-2-ylisoquinoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;9-propan-2-ylacridine;9-propan-2-ylanthracene;9-propan-2-yl-1,2,3,4-tetrahydroacridine.

Molecular Properties

• Compound Name: 2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;3-methyl-4-propan-2-ylisoquinoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;9-propan-2-ylacridine;9-propan-2-ylanthracene;9-propan-2-yl-1,2,3,4-tetrahydroacridine
• PubChem CID: 157131837
• Molecular Formula: C171H199N9O3S
• Molecular Weight: 2460.60 g/mol
• Exact Mass: 2458.54
• IUPAC Name: 2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;3-methyl-4-propan-2-ylisoquinoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;9-propan-2-ylacridine;9-propan-2-ylanthracene;9-propan-2-yl-1,2,3,4-tetrahydroacridine
• SMILES: CC(C)c1c2c(nc3ccccc13)CCCC2.CC(C)c1c2ccccc2cc2ccccc12.CC(C)c1c2ccccc2nc2ccccc12.CCc1nc2ccccc2c(C(C)C)c1C.COc1c(C)nc2ccccc2c1C(C)C.COc1ccc2c(c1C(C)C)CCCC2.Cc1c(C(C)C)c2ccccc2n(C)c1=O.Cc1ccc2cccnc2c1C(C)C.Cc1ccc2ncccc2c1C(C)C.Cc1nc2ccccc2c(C(C)C)c1C.Cc1ncc2ccccc2c1C(C)C.Cc1sc2ccccc2c1C(C)C
• InChI: InChI=1S/C17H16.C16H19N.C16H15N.C15H19N.2C14H17NO.C14H17N.C14H20O.3C13H15N.C12H14S/c1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;2*1-11(2)16-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16;1-5-13-11(4)15(10(2)3)12-8-6-7-9-14(12)16-13;1-9(2)13-11-7-5-6-8-12(11)15-10(3)14(13)16-4;1-9(2)13-10(3)14(16)15(4)12-8-6-5-7-11(12)13;1-9(2)14-10(3)11(4)15-13-8-6-5-7-12(13)14;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-9(2)13-10(3)6-7-12-11(13)5-4-8-14-12;1-9(2)12-10(3)6-7-11-5-4-8-14-13(11)12;1-9(2)13-10(3)14-8-11-6-4-5-7-12(11)13;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12/h3-12H,1-2H3;3,5,7,9,11H,4,6,8,10H2,1-2H3;3-11H,1-2H3;6-10H,5H2,1-4H3;2*5-9H,1-4H3;5-9H,1-4H3;8-10H,4-7H2,1-3H3;3*4-9H,1-3H3;4-8H,1-3H3
• InChIKey: AJDYTSRKXNZPBB-UHFFFAOYSA-N
• XLogP: 47.74
• TPSA: 143.58 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2460.60
LogP ≤ 5	47.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;3-methyl-4-propan-2-ylisoquinoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;9-propan-2-ylacridine;9-propan-2-ylanthracene;9-propan-2-yl-1,2,3,4-tetrahydroacridine?

The IUPAC name of 2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;3-methyl-4-propan-2-ylisoquinoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;9-propan-2-ylacridine;9-propan-2-ylanthracene;9-propan-2-yl-1,2,3,4-tetrahydroacridine (CID 157131837) is 2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;3-methyl-4-propan-2-ylisoquinoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;9-propan-2-ylacridine;9-propan-2-ylanthracene;9-propan-2-yl-1,2,3,4-tetrahydroacridine.

What is the SMILES notation for 2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;3-methyl-4-propan-2-ylisoquinoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;9-propan-2-ylacridine;9-propan-2-ylanthracene;9-propan-2-yl-1,2,3,4-tetrahydroacridine?

The canonical SMILES for 2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;3-methyl-4-propan-2-ylisoquinoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;9-propan-2-ylacridine;9-propan-2-ylanthracene;9-propan-2-yl-1,2,3,4-tetrahydroacridine is CC(C)c1c2c(nc3ccccc13)CCCC2.CC(C)c1c2ccccc2cc2ccccc12.CC(C)c1c2ccccc2nc2ccccc12.CCc1nc2ccccc2c(C(C)C)c1C.COc1c(C)nc2ccccc2c1C(C)C.COc1ccc2c(c1C(C)C)CCCC2.Cc1c(C(C)C)c2ccccc2n(C)c1=O.Cc1ccc2cccnc2c1C(C)C.Cc1ccc2ncccc2c1C(C)C.Cc1nc2ccccc2c(C(C)C)c1C.Cc1ncc2ccccc2c1C(C)C.Cc1sc2ccccc2c1C(C)C.

What is the InChIKey of 2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;3-methyl-4-propan-2-ylisoquinoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;9-propan-2-ylacridine;9-propan-2-ylanthracene;9-propan-2-yl-1,2,3,4-tetrahydroacridine?

The InChIKey is AJDYTSRKXNZPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16.C16H19N.C16H15N.C15H19N.2C14H17NO.C14H17N.C14H20O.3C13H15N.C12H14S/c1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;2*1-11(2)16-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16;1-5-13-11(4)15(10(2)3)12-8-6-7-9-14(12)16-13;1-9(2)13-11-7-5-6-8-12(11)15-10(3)14(13)16-4;1-9(2)13-10(3)14(16)15(4)12-8-6-5-7-11(12)13;1-9(2)14-10(3)11(4)15-13-8-6-5-7-12(13)14;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-9(2)13-10(3)6-7-12-11(13)5-4-8-14-12;1-9(2)12-10(3)6-7-11-5-4-8-14-13(11)12;1-9(2)13-10(3)14-8-11-6-4-5-7-12(11)13;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12/h3-12H,1-2H3;3,5,7,9,11H,4,6,8,10H2,1-2H3;3-11H,1-2H3;6-10H,5H2,1-4H3;2*5-9H,1-4H3;5-9H,1-4H3;8-10H,4-7H2,1-3H3;3*4-9H,1-3H3;4-8H,1-3H3.

What are the key properties of 2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;3-methyl-4-propan-2-ylisoquinoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;9-propan-2-ylacridine;9-propan-2-ylanthracene;9-propan-2-yl-1,2,3,4-tetrahydroacridine?

2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;3-methyl-4-propan-2-ylisoquinoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;9-propan-2-ylacridine;9-propan-2-ylanthracene;9-propan-2-yl-1,2,3,4-tetrahydroacridine has a molecular weight of 2460.60 g/mol, XLogP of 47.74, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;3-methyl-4-propan-2-ylisoquinoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;9-propan-2-ylacridine;9-propan-2-ylanthracene;9-propan-2-yl-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 157131837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).