dipotassium;1,4-bis(bromomethyl)cyclohexane;7-[[4-(bromomethyl)cyclohexyl]methoxy]-3,4-dihydro-1H-quinolin-2-one;hydride;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;oxido formate

C35H47Br3K2N2O7 — CID 159895059

About dipotassium;1,4-bis(bromomethyl)cyclohexane;7-[[4-(bromomethyl)cyclohexyl]methoxy]-3,4-dihydro-1H-quinolin-2-one;hydride;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;oxido formate

dipotassium;1,4-bis(bromomethyl)cyclohexane;7-[[4-(bromomethyl)cyclohexyl]methoxy]-3,4-dihydro-1H-quinolin-2-one;hydride;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;oxido formate (PubChem CID 159895059) has the molecular formula C35H47Br3K2N2O7 and a molecular weight of 925.68 g/mol. Its IUPAC name is dipotassium;1,4-bis(bromomethyl)cyclohexane;7-[[4-(bromomethyl)cyclohexyl]methoxy]-3,4-dihydro-1H-quinolin-2-one;hydride;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;oxido formate.

Molecular Properties

• Compound Name: dipotassium;1,4-bis(bromomethyl)cyclohexane;7-[[4-(bromomethyl)cyclohexyl]methoxy]-3,4-dihydro-1H-quinolin-2-one;hydride;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;oxido formate
• PubChem CID: 159895059
• Molecular Formula: C35H47Br3K2N2O7
• Molecular Weight: 925.68 g/mol
• Exact Mass: 922.02
• IUPAC Name: dipotassium;1,4-bis(bromomethyl)cyclohexane;7-[[4-(bromomethyl)cyclohexyl]methoxy]-3,4-dihydro-1H-quinolin-2-one;hydride;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;oxido formate
• SMILES: BrCC1CCC(CBr)CC1.O=C1CCc2ccc(O)cc2N1.O=C1CCc2ccc(OCC3CCC(CBr)CC3)cc2N1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C17H22BrNO2.C9H9NO2.C8H14Br2.CH2O3.2K.H/c18-10-12-1-3-13(4-2-12)11-21-15-7-5-14-6-8-17(20)19-16(14)9-15;11-7-3-1-6-2-4-9(12)10-8(6)5-7;9-5-7-1-2-8(6-10)4-3-7;2-1-4-3;;;/h5,7,9,12-13H,1-4,6,8,10-11H2,(H,19,20);1,3,5,11H,2,4H2,(H,10,12);7-8H,1-6H2;1,3H;;;/q;;;;2*+1;-1/p-1
• InChIKey: JNMZMQHHKMWHMK-UHFFFAOYSA-M
• XLogP: 1.57
• TPSA: 137.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	925.68
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;1,4-bis(bromomethyl)cyclohexane;7-[[4-(bromomethyl)cyclohexyl]methoxy]-3,4-dihydro-1H-quinolin-2-one;hydride;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;oxido formate?

The IUPAC name of dipotassium;1,4-bis(bromomethyl)cyclohexane;7-[[4-(bromomethyl)cyclohexyl]methoxy]-3,4-dihydro-1H-quinolin-2-one;hydride;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;oxido formate (CID 159895059) is dipotassium;1,4-bis(bromomethyl)cyclohexane;7-[[4-(bromomethyl)cyclohexyl]methoxy]-3,4-dihydro-1H-quinolin-2-one;hydride;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;oxido formate.

What is the SMILES notation for dipotassium;1,4-bis(bromomethyl)cyclohexane;7-[[4-(bromomethyl)cyclohexyl]methoxy]-3,4-dihydro-1H-quinolin-2-one;hydride;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;oxido formate?

The canonical SMILES for dipotassium;1,4-bis(bromomethyl)cyclohexane;7-[[4-(bromomethyl)cyclohexyl]methoxy]-3,4-dihydro-1H-quinolin-2-one;hydride;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;oxido formate is BrCC1CCC(CBr)CC1.O=C1CCc2ccc(O)cc2N1.O=C1CCc2ccc(OCC3CCC(CBr)CC3)cc2N1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;1,4-bis(bromomethyl)cyclohexane;7-[[4-(bromomethyl)cyclohexyl]methoxy]-3,4-dihydro-1H-quinolin-2-one;hydride;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;oxido formate?

The InChIKey is JNMZMQHHKMWHMK-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H22BrNO2.C9H9NO2.C8H14Br2.CH2O3.2K.H/c18-10-12-1-3-13(4-2-12)11-21-15-7-5-14-6-8-17(20)19-16(14)9-15;11-7-3-1-6-2-4-9(12)10-8(6)5-7;9-5-7-1-2-8(6-10)4-3-7;2-1-4-3;;;/h5,7,9,12-13H,1-4,6,8,10-11H2,(H,19,20);1,3,5,11H,2,4H2,(H,10,12);7-8H,1-6H2;1,3H;;;/q;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;1,4-bis(bromomethyl)cyclohexane;7-[[4-(bromomethyl)cyclohexyl]methoxy]-3,4-dihydro-1H-quinolin-2-one;hydride;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;oxido formate?

dipotassium;1,4-bis(bromomethyl)cyclohexane;7-[[4-(bromomethyl)cyclohexyl]methoxy]-3,4-dihydro-1H-quinolin-2-one;hydride;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;oxido formate has a molecular weight of 925.68 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;1,4-bis(bromomethyl)cyclohexane;7-[[4-(bromomethyl)cyclohexyl]methoxy]-3,4-dihydro-1H-quinolin-2-one;hydride;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;oxido formate is sourced from PubChem (CID 159895059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).