6-chloro-3,4-dihydro-2H-pyrano[3,2-c]isoquinoline;1-chloro-4-(3-hydroxypropyl)-2H-isoquinolin-3-one;1-chloro-2H-isoquinolin-3-one;1-chloro-3-methoxyisoquinoline;1-chloro-3-prop-2-enoxyisoquinoline;1-chloro-4-prop-2-enyl-2H-isoquinolin-3-one

C67H56Cl6N6O7 — CID 160635137

About 6-chloro-3,4-dihydro-2H-pyrano[3,2-c]isoquinoline;1-chloro-4-(3-hydroxypropyl)-2H-isoquinolin-3-one;1-chloro-2H-isoquinolin-3-one;1-chloro-3-methoxyisoquinoline;1-chloro-3-prop-2-enoxyisoquinoline;1-chloro-4-prop-2-enyl-2H-isoquinolin-3-one

6-chloro-3,4-dihydro-2H-pyrano[3,2-c]isoquinoline;1-chloro-4-(3-hydroxypropyl)-2H-isoquinolin-3-one;1-chloro-2H-isoquinolin-3-one;1-chloro-3-methoxyisoquinoline;1-chloro-3-prop-2-enoxyisoquinoline;1-chloro-4-prop-2-enyl-2H-isoquinolin-3-one (PubChem CID 160635137) has the molecular formula C67H56Cl6N6O7 and a molecular weight of 1269.94 g/mol. Its IUPAC name is 6-chloro-3,4-dihydro-2H-pyrano[3,2-c]isoquinoline;1-chloro-4-(3-hydroxypropyl)-2H-isoquinolin-3-one;1-chloro-2H-isoquinolin-3-one;1-chloro-3-methoxyisoquinoline;1-chloro-3-prop-2-enoxyisoquinoline;1-chloro-4-prop-2-enyl-2H-isoquinolin-3-one.

Molecular Properties

• Compound Name: 6-chloro-3,4-dihydro-2H-pyrano[3,2-c]isoquinoline;1-chloro-4-(3-hydroxypropyl)-2H-isoquinolin-3-one;1-chloro-2H-isoquinolin-3-one;1-chloro-3-methoxyisoquinoline;1-chloro-3-prop-2-enoxyisoquinoline;1-chloro-4-prop-2-enyl-2H-isoquinolin-3-one
• PubChem CID: 160635137
• Molecular Formula: C67H56Cl6N6O7
• Molecular Weight: 1269.94 g/mol
• Exact Mass: 1266.23
• IUPAC Name: 6-chloro-3,4-dihydro-2H-pyrano[3,2-c]isoquinoline;1-chloro-4-(3-hydroxypropyl)-2H-isoquinolin-3-one;1-chloro-2H-isoquinolin-3-one;1-chloro-3-methoxyisoquinoline;1-chloro-3-prop-2-enoxyisoquinoline;1-chloro-4-prop-2-enyl-2H-isoquinolin-3-one
• SMILES: C=CCOc1cc2ccccc2c(Cl)n1.C=CCc1c(=O)[nH]c(Cl)c2ccccc12.COc1cc2ccccc2c(Cl)n1.Clc1nc2c(c3ccccc13)OCCC2.O=c1[nH]c(Cl)c2ccccc2c1CCCO.O=c1cc2ccccc2c(Cl)[nH]1
• InChI: InChI=1S/C12H12ClNO2.3C12H10ClNO.C10H8ClNO.C9H6ClNO/c13-11-9-5-2-1-4-8(9)10(6-3-7-15)12(16)14-11;13-12-9-5-2-1-4-8(9)11-10(14-12)6-3-7-15-11;1-2-7-15-11-8-9-5-3-4-6-10(9)12(13)14-11;1-2-5-10-8-6-3-4-7-9(8)11(13)14-12(10)15;1-13-9-6-7-4-2-3-5-8(7)10(11)12-9;10-9-7-4-2-1-3-6(7)5-8(12)11-9/h1-2,4-5,15H,3,6-7H2,(H,14,16);1-2,4-5H,3,6-7H2;2-6,8H,1,7H2;2-4,6-7H,1,5H2,(H,14,15);2-6H,1H3;1-5H,(H,11,12)
• InChIKey: RILCEKPBUNKXHX-UHFFFAOYSA-N
• XLogP: 16.76
• TPSA: 185.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1269.94
LogP ≤ 5	16.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,4-dihydro-2H-pyrano[3,2-c]isoquinoline;1-chloro-4-(3-hydroxypropyl)-2H-isoquinolin-3-one;1-chloro-2H-isoquinolin-3-one;1-chloro-3-methoxyisoquinoline;1-chloro-3-prop-2-enoxyisoquinoline;1-chloro-4-prop-2-enyl-2H-isoquinolin-3-one?

The IUPAC name of 6-chloro-3,4-dihydro-2H-pyrano[3,2-c]isoquinoline;1-chloro-4-(3-hydroxypropyl)-2H-isoquinolin-3-one;1-chloro-2H-isoquinolin-3-one;1-chloro-3-methoxyisoquinoline;1-chloro-3-prop-2-enoxyisoquinoline;1-chloro-4-prop-2-enyl-2H-isoquinolin-3-one (CID 160635137) is 6-chloro-3,4-dihydro-2H-pyrano[3,2-c]isoquinoline;1-chloro-4-(3-hydroxypropyl)-2H-isoquinolin-3-one;1-chloro-2H-isoquinolin-3-one;1-chloro-3-methoxyisoquinoline;1-chloro-3-prop-2-enoxyisoquinoline;1-chloro-4-prop-2-enyl-2H-isoquinolin-3-one.

What is the SMILES notation for 6-chloro-3,4-dihydro-2H-pyrano[3,2-c]isoquinoline;1-chloro-4-(3-hydroxypropyl)-2H-isoquinolin-3-one;1-chloro-2H-isoquinolin-3-one;1-chloro-3-methoxyisoquinoline;1-chloro-3-prop-2-enoxyisoquinoline;1-chloro-4-prop-2-enyl-2H-isoquinolin-3-one?

The canonical SMILES for 6-chloro-3,4-dihydro-2H-pyrano[3,2-c]isoquinoline;1-chloro-4-(3-hydroxypropyl)-2H-isoquinolin-3-one;1-chloro-2H-isoquinolin-3-one;1-chloro-3-methoxyisoquinoline;1-chloro-3-prop-2-enoxyisoquinoline;1-chloro-4-prop-2-enyl-2H-isoquinolin-3-one is C=CCOc1cc2ccccc2c(Cl)n1.C=CCc1c(=O)[nH]c(Cl)c2ccccc12.COc1cc2ccccc2c(Cl)n1.Clc1nc2c(c3ccccc13)OCCC2.O=c1[nH]c(Cl)c2ccccc2c1CCCO.O=c1cc2ccccc2c(Cl)[nH]1.

What is the InChIKey of 6-chloro-3,4-dihydro-2H-pyrano[3,2-c]isoquinoline;1-chloro-4-(3-hydroxypropyl)-2H-isoquinolin-3-one;1-chloro-2H-isoquinolin-3-one;1-chloro-3-methoxyisoquinoline;1-chloro-3-prop-2-enoxyisoquinoline;1-chloro-4-prop-2-enyl-2H-isoquinolin-3-one?

The InChIKey is RILCEKPBUNKXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2.3C12H10ClNO.C10H8ClNO.C9H6ClNO/c13-11-9-5-2-1-4-8(9)10(6-3-7-15)12(16)14-11;13-12-9-5-2-1-4-8(9)11-10(14-12)6-3-7-15-11;1-2-7-15-11-8-9-5-3-4-6-10(9)12(13)14-11;1-2-5-10-8-6-3-4-7-9(8)11(13)14-12(10)15;1-13-9-6-7-4-2-3-5-8(7)10(11)12-9;10-9-7-4-2-1-3-6(7)5-8(12)11-9/h1-2,4-5,15H,3,6-7H2,(H,14,16);1-2,4-5H,3,6-7H2;2-6,8H,1,7H2;2-4,6-7H,1,5H2,(H,14,15);2-6H,1H3;1-5H,(H,11,12).

What are the key properties of 6-chloro-3,4-dihydro-2H-pyrano[3,2-c]isoquinoline;1-chloro-4-(3-hydroxypropyl)-2H-isoquinolin-3-one;1-chloro-2H-isoquinolin-3-one;1-chloro-3-methoxyisoquinoline;1-chloro-3-prop-2-enoxyisoquinoline;1-chloro-4-prop-2-enyl-2H-isoquinolin-3-one?

6-chloro-3,4-dihydro-2H-pyrano[3,2-c]isoquinoline;1-chloro-4-(3-hydroxypropyl)-2H-isoquinolin-3-one;1-chloro-2H-isoquinolin-3-one;1-chloro-3-methoxyisoquinoline;1-chloro-3-prop-2-enoxyisoquinoline;1-chloro-4-prop-2-enyl-2H-isoquinolin-3-one has a molecular weight of 1269.94 g/mol, XLogP of 16.76, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3,4-dihydro-2H-pyrano[3,2-c]isoquinoline;1-chloro-4-(3-hydroxypropyl)-2H-isoquinolin-3-one;1-chloro-2H-isoquinolin-3-one;1-chloro-3-methoxyisoquinoline;1-chloro-3-prop-2-enoxyisoquinoline;1-chloro-4-prop-2-enyl-2H-isoquinolin-3-one is sourced from PubChem (CID 160635137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).