2-(2-bromopropan-2-yl)-5-chloro-3-(3-fluorophenyl)quinoxaline;3-(2-bromopropan-2-yl)-5-chloro-2-(3-fluorophenyl)quinoxaline;5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione

C73H60Br4Cl4F4N10O2 — CID 161476505

IUPAC2-(2-bromopropan-2-yl)-5-chloro-3-(3-fluorophenyl)quinoxaline;3-(2-bromopropan-2-yl)-5-chloro-2-(3-fluorophenyl)quinoxaline;5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(C)(Br)c1nc2c(Cl)cccc2nc1-c1cccc(F)c1.CC(C)(Br)c1nc2cccc(Cl)c2nc1-c1cccc(F)c1.CC(C)c1nc2c(Cl)cccc2nc1-c1cccc(F)c1.CC(C)c1nc2cccc(Cl)c2nc1-c1cccc(F)c1.CC1(C)C(=O)N(Br)C(=O)N1Br
InChIInChI=1S/2C17H13BrClFN2.2C17H14ClFN2.C5H6Br2N2O2/c1-17(2,18)16-14(10-5-3-6-11(20)9-10)22-15-12(19)7-4-8-13(15)21-16;1-17(2,18)16-14(10-5-3-6-11(20)9-10)21-13-8-4-7-12(19)15(13)22-16;1-10(2)15-16(11-5-3-6-12(19)9-11)20-14-8-4-7-13(18)17(14)21-15;1-10(2)15-16(11-5-3-6-12(19)9-11)21-17-13(18)7-4-8-14(17)20-15;1-5(2)3(10)8(6)4(11)9(5)7/h2*3-9H,1-2H3;2*3-10H,1-2H3;1-2H3
InChIKeyWDUANVHLCABRHM-UHFFFAOYSA-N
MW1646.77 g/mol
LogP23.51
Rot. Bonds8

About 2-(2-bromopropan-2-yl)-5-chloro-3-(3-fluorophenyl)quinoxaline;3-(2-bromopropan-2-yl)-5-chloro-2-(3-fluorophenyl)quinoxaline;5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione

2-(2-bromopropan-2-yl)-5-chloro-3-(3-fluorophenyl)quinoxaline;3-(2-bromopropan-2-yl)-5-chloro-2-(3-fluorophenyl)quinoxaline;5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 161476505) has the molecular formula C73H60Br4Cl4F4N10O2 and a molecular weight of 1646.77 g/mol. Its IUPAC name is 2-(2-bromopropan-2-yl)-5-chloro-3-(3-fluorophenyl)quinoxaline;3-(2-bromopropan-2-yl)-5-chloro-2-(3-fluorophenyl)quinoxaline;5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name2-(2-bromopropan-2-yl)-5-chloro-3-(3-fluorophenyl)quinoxaline;3-(2-bromopropan-2-yl)-5-chloro-2-(3-fluorophenyl)quinoxaline;5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione
PubChem CID161476505
Molecular FormulaC73H60Br4Cl4F4N10O2
Molecular Weight1646.77 g/mol
Exact Mass1640.03
IUPAC Name2-(2-bromopropan-2-yl)-5-chloro-3-(3-fluorophenyl)quinoxaline;3-(2-bromopropan-2-yl)-5-chloro-2-(3-fluorophenyl)quinoxaline;5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(C)(Br)c1nc2c(Cl)cccc2nc1-c1cccc(F)c1.CC(C)(Br)c1nc2cccc(Cl)c2nc1-c1cccc(F)c1.CC(C)c1nc2c(Cl)cccc2nc1-c1cccc(F)c1.CC(C)c1nc2cccc(Cl)c2nc1-c1cccc(F)c1.CC1(C)C(=O)N(Br)C(=O)N1Br
InChIInChI=1S/2C17H13BrClFN2.2C17H14ClFN2.C5H6Br2N2O2/c1-17(2,18)16-14(10-5-3-6-11(20)9-10)22-15-12(19)7-4-8-13(15)21-16;1-17(2,18)16-14(10-5-3-6-11(20)9-10)21-13-8-4-7-12(19)15(13)22-16;1-10(2)15-16(11-5-3-6-12(19)9-11)20-14-8-4-7-13(18)17(14)21-15;1-10(2)15-16(11-5-3-6-12(19)9-11)21-17-13(18)7-4-8-14(17)20-15;1-5(2)3(10)8(6)4(11)9(5)7/h2*3-9H,1-2H3;2*3-10H,1-2H3;1-2H3
InChIKeyWDUANVHLCABRHM-UHFFFAOYSA-N
XLogP23.51
TPSA143.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001646.77
LogP ≤ 523.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 2-(2-bromopropan-2-yl)-5-chloro-3-(3-fluorophenyl)quinoxaline;3-(2-bromopropan-2-yl)-5-chloro-2-(3-fluorophenyl)quinoxaline;5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopropan-2-yl)-5-chloro-3-(3-fluorophenyl)quinoxaline;3-(2-bromopropan-2-yl)-5-chloro-2-(3-fluorophenyl)quinoxaline;5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 2-(2-bromopropan-2-yl)-5-chloro-3-(3-fluorophenyl)quinoxaline;3-(2-bromopropan-2-yl)-5-chloro-2-(3-fluorophenyl)quinoxaline;5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione (CID 161476505) is 2-(2-bromopropan-2-yl)-5-chloro-3-(3-fluorophenyl)quinoxaline;3-(2-bromopropan-2-yl)-5-chloro-2-(3-fluorophenyl)quinoxaline;5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 2-(2-bromopropan-2-yl)-5-chloro-3-(3-fluorophenyl)quinoxaline;3-(2-bromopropan-2-yl)-5-chloro-2-(3-fluorophenyl)quinoxaline;5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 2-(2-bromopropan-2-yl)-5-chloro-3-(3-fluorophenyl)quinoxaline;3-(2-bromopropan-2-yl)-5-chloro-2-(3-fluorophenyl)quinoxaline;5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione is CC(C)(Br)c1nc2c(Cl)cccc2nc1-c1cccc(F)c1.CC(C)(Br)c1nc2cccc(Cl)c2nc1-c1cccc(F)c1.CC(C)c1nc2c(Cl)cccc2nc1-c1cccc(F)c1.CC(C)c1nc2cccc(Cl)c2nc1-c1cccc(F)c1.CC1(C)C(=O)N(Br)C(=O)N1Br.
What is the InChIKey of 2-(2-bromopropan-2-yl)-5-chloro-3-(3-fluorophenyl)quinoxaline;3-(2-bromopropan-2-yl)-5-chloro-2-(3-fluorophenyl)quinoxaline;5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is WDUANVHLCABRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H13BrClFN2.2C17H14ClFN2.C5H6Br2N2O2/c1-17(2,18)16-14(10-5-3-6-11(20)9-10)22-15-12(19)7-4-8-13(15)21-16;1-17(2,18)16-14(10-5-3-6-11(20)9-10)21-13-8-4-7-12(19)15(13)22-16;1-10(2)15-16(11-5-3-6-12(19)9-11)20-14-8-4-7-13(18)17(14)21-15;1-10(2)15-16(11-5-3-6-12(19)9-11)21-17-13(18)7-4-8-14(17)20-15;1-5(2)3(10)8(6)4(11)9(5)7/h2*3-9H,1-2H3;2*3-10H,1-2H3;1-2H3.
What are the key properties of 2-(2-bromopropan-2-yl)-5-chloro-3-(3-fluorophenyl)quinoxaline;3-(2-bromopropan-2-yl)-5-chloro-2-(3-fluorophenyl)quinoxaline;5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione?
2-(2-bromopropan-2-yl)-5-chloro-3-(3-fluorophenyl)quinoxaline;3-(2-bromopropan-2-yl)-5-chloro-2-(3-fluorophenyl)quinoxaline;5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 1646.77 g/mol, XLogP of 23.51, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopropan-2-yl)-5-chloro-3-(3-fluorophenyl)quinoxaline;3-(2-bromopropan-2-yl)-5-chloro-2-(3-fluorophenyl)quinoxaline;5-chloro-2-(3-fluorophenyl)-3-propan-2-ylquinoxaline;5-chloro-3-(3-fluorophenyl)-2-propan-2-ylquinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 161476505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).