7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-isoquinoline;2-(7-chloro-6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile;7-cyclopropyl-2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;ethane;2-ethyl-7-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline

C61H89Cl2N5 — CID 168889262

About 7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-isoquinoline;2-(7-chloro-6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile;7-cyclopropyl-2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;ethane;2-ethyl-7-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline

7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-isoquinoline;2-(7-chloro-6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile;7-cyclopropyl-2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;ethane;2-ethyl-7-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 168889262) has the molecular formula C61H89Cl2N5 and a molecular weight of 963.32 g/mol. Its IUPAC name is 7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-isoquinoline;2-(7-chloro-6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile;7-cyclopropyl-2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;ethane;2-ethyl-7-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

• Compound Name: 7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-isoquinoline;2-(7-chloro-6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile;7-cyclopropyl-2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;ethane;2-ethyl-7-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline
• PubChem CID: 168889262
• Molecular Formula: C61H89Cl2N5
• Molecular Weight: 963.32 g/mol
• Exact Mass: 961.65
• IUPAC Name: 7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-isoquinoline;2-(7-chloro-6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile;7-cyclopropyl-2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;ethane;2-ethyl-7-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline
• SMILES: CC.CC(C)c1cc2c(cc1C1CC1)CN(C(C)C)CC2.CC(C)c1cc2c(cc1Cl)CN(CC#N)CC2.CCN1CCc2cc(C(C)C)c(C)cc2C1.CCN1CCc2cc(C)c(Cl)cc2C1
• InChI: InChI=1S/C18H27N.C15H23N.C14H17ClN2.C12H16ClN.C2H6/c1-12(2)17-9-15-7-8-19(13(3)4)11-16(15)10-18(17)14-5-6-14;1-5-16-7-6-13-9-15(11(2)3)12(4)8-14(13)10-16;1-10(2)13-7-11-3-5-17(6-4-16)9-12(11)8-14(13)15;1-3-14-5-4-10-6-9(2)12(13)7-11(10)8-14;1-2/h9-10,12-14H,5-8,11H2,1-4H3;8-9,11H,5-7,10H2,1-4H3;7-8,10H,3,5-6,9H2,1-2H3;6-7H,3-5,8H2,1-2H3;1-2H3
• InChIKey: ILWHFRSRIMKFSZ-UHFFFAOYSA-N
• XLogP: 15.35
• TPSA: 36.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.32
LogP ≤ 5	15.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-isoquinoline;2-(7-chloro-6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile;7-cyclopropyl-2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;ethane;2-ethyl-7-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline?

The IUPAC name of 7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-isoquinoline;2-(7-chloro-6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile;7-cyclopropyl-2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;ethane;2-ethyl-7-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline (CID 168889262) is 7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-isoquinoline;2-(7-chloro-6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile;7-cyclopropyl-2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;ethane;2-ethyl-7-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline.

What is the SMILES notation for 7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-isoquinoline;2-(7-chloro-6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile;7-cyclopropyl-2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;ethane;2-ethyl-7-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline?

The canonical SMILES for 7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-isoquinoline;2-(7-chloro-6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile;7-cyclopropyl-2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;ethane;2-ethyl-7-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline is CC.CC(C)c1cc2c(cc1C1CC1)CN(C(C)C)CC2.CC(C)c1cc2c(cc1Cl)CN(CC#N)CC2.CCN1CCc2cc(C(C)C)c(C)cc2C1.CCN1CCc2cc(C)c(Cl)cc2C1.

What is the InChIKey of 7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-isoquinoline;2-(7-chloro-6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile;7-cyclopropyl-2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;ethane;2-ethyl-7-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline?

The InChIKey is ILWHFRSRIMKFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N.C15H23N.C14H17ClN2.C12H16ClN.C2H6/c1-12(2)17-9-15-7-8-19(13(3)4)11-16(15)10-18(17)14-5-6-14;1-5-16-7-6-13-9-15(11(2)3)12(4)8-14(13)10-16;1-10(2)13-7-11-3-5-17(6-4-16)9-12(11)8-14(13)15;1-3-14-5-4-10-6-9(2)12(13)7-11(10)8-14;1-2/h9-10,12-14H,5-8,11H2,1-4H3;8-9,11H,5-7,10H2,1-4H3;7-8,10H,3,5-6,9H2,1-2H3;6-7H,3-5,8H2,1-2H3;1-2H3.

What are the key properties of 7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-isoquinoline;2-(7-chloro-6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile;7-cyclopropyl-2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;ethane;2-ethyl-7-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline?

7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-isoquinoline;2-(7-chloro-6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile;7-cyclopropyl-2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;ethane;2-ethyl-7-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 963.32 g/mol, XLogP of 15.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-isoquinoline;2-(7-chloro-6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile;7-cyclopropyl-2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;ethane;2-ethyl-7-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 168889262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).