dipotassium;(2-amino-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone;6-(bromomethyl)-2,3-dimethoxyquinoxaline;[2-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone;1-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;hydride;oxido formate

C92H89BrK2N10O15 — CID 159000872

IUPACdipotassium;(2-amino-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone;6-(bromomethyl)-2,3-dimethoxyquinoxaline;[2-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone;1-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;hydride;oxido formate
SMILESC#CCOc1ccc(N)c(C(=O)c2ccc(C(C)C)cc2)c1.C#CCOc1ccc(NCc2ccc3nc(OC)c(OC)nc3c2)c(C(=O)c2ccc(C(C)C)cc2)c1.C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2Cc1ccc2nc(OC)c(OC)nc2c1.COc1nc2ccc(CBr)cc2nc1OC.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C31H28N4O4.C30H29N3O4.C19H19NO2.C11H11BrN2O2.CH2O3.2K.H/c1-6-15-39-23-12-14-27-24(17-23)28(22-10-8-21(9-11-22)19(2)3)34-31(36)35(27)18-20-7-13-25-26(16-20)33-30(38-5)29(32-25)37-4;1-6-15-37-23-12-14-25(24(17-23)28(34)22-10-8-21(9-11-22)19(2)3)31-18-20-7-13-26-27(16-20)33-30(36-5)29(32-26)35-4;1-4-11-22-16-9-10-18(20)17(12-16)19(21)15-7-5-14(6-8-15)13(2)3;1-15-10-11(16-2)14-9-5-7(6-12)3-4-8(9)13-10;2-1-4-3;;;/h1,7-14,16-17,19H,15,18H2,2-5H3;1,7-14,16-17,19,31H,15,18H2,2-5H3;1,5-10,12-13H,11,20H2,2-3H3;3-5H,6H2,1-2H3;1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeyMLHKKSHCLCKYNS-UHFFFAOYSA-M
MW1732.88 g/mol
LogP9.57
Rot. Bonds27

About dipotassium;(2-amino-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone;6-(bromomethyl)-2,3-dimethoxyquinoxaline;[2-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone;1-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;hydride;oxido formate

dipotassium;(2-amino-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone;6-(bromomethyl)-2,3-dimethoxyquinoxaline;[2-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone;1-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;hydride;oxido formate (PubChem CID 159000872) has the molecular formula C92H89BrK2N10O15 and a molecular weight of 1732.88 g/mol. Its IUPAC name is dipotassium;(2-amino-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone;6-(bromomethyl)-2,3-dimethoxyquinoxaline;[2-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone;1-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;hydride;oxido formate.

Molecular Properties

Compound Namedipotassium;(2-amino-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone;6-(bromomethyl)-2,3-dimethoxyquinoxaline;[2-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone;1-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;hydride;oxido formate
PubChem CID159000872
Molecular FormulaC92H89BrK2N10O15
Molecular Weight1732.88 g/mol
Exact Mass1730.50
IUPAC Namedipotassium;(2-amino-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone;6-(bromomethyl)-2,3-dimethoxyquinoxaline;[2-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone;1-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;hydride;oxido formate
SMILESC#CCOc1ccc(N)c(C(=O)c2ccc(C(C)C)cc2)c1.C#CCOc1ccc(NCc2ccc3nc(OC)c(OC)nc3c2)c(C(=O)c2ccc(C(C)C)cc2)c1.C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2Cc1ccc2nc(OC)c(OC)nc2c1.COc1nc2ccc(CBr)cc2nc1OC.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C31H28N4O4.C30H29N3O4.C19H19NO2.C11H11BrN2O2.CH2O3.2K.H/c1-6-15-39-23-12-14-27-24(17-23)28(22-10-8-21(9-11-22)19(2)3)34-31(36)35(27)18-20-7-13-25-26(16-20)33-30(38-5)29(32-25)37-4;1-6-15-37-23-12-14-25(24(17-23)28(34)22-10-8-21(9-11-22)19(2)3)31-18-20-7-13-26-27(16-20)33-30(36-5)29(32-26)35-4;1-4-11-22-16-9-10-18(20)17(12-16)19(21)15-7-5-14(6-8-15)13(2)3;1-15-10-11(16-2)14-9-5-7(6-12)3-4-8(9)13-10;2-1-4-3;;;/h1,7-14,16-17,19H,15,18H2,2-5H3;1,7-14,16-17,19,31H,15,18H2,2-5H3;1,5-10,12-13H,11,20H2,2-3H3;3-5H,6H2,1-2H3;1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeyMLHKKSHCLCKYNS-UHFFFAOYSA-M
XLogP9.57
TPSA316.85 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001732.88
LogP ≤ 59.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze dipotassium;(2-amino-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone;6-(bromomethyl)-2,3-dimethoxyquinoxaline;[2-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone;1-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;hydride;oxido formate with MolForge

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Related Compounds

4-(4-propan-2-ylphenyl)-1-[(4-propan-2-ylphenyl)methyl]-6-prop-2-ynoxyquinazolin-2-one
CID 45140790
1-[(3-chlorophenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one
CID 59259170
[2-[(3-methoxyphenyl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone
CID 45140591
1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one
CID 59259144
1-[2-(3,5-dimethoxyphenyl)ethyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;4-[[4,5-dimethoxy-2-(4-propan-2-ylbenzoyl)anilino]methyl]-4-ethylhexanenitrile
CID 87670851
1-[(4,5-dichlorothiophen-2-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one
CID 59259142
[2-[(3-methylsulfanylphenyl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone
CID 142911947
1-[(2-ethoxyphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;1-[(3-ethoxyphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;1-[(2-hydroxy-6-methoxyphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one
CID 87669952
6-[[2-(4-propan-2-ylbenzoyl)-4-prop-2-ynoxyanilino]methyl]-1H-pyridin-2-one
CID 59259119
1-[[3-(7-piperidin-1-ylheptoxy)phenyl]methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;2,2,2-trifluoroacetic acid
CID 10233915
2-methyl-2-[3-[[2-oxo-4-(4-propan-2-ylphenyl)-6-prop-2-enoxyquinazolin-1-yl]methyl]phenoxy]propanoic acid
CID 89328350
1-benzyl-6-methoxy-4-(4-propan-2-ylphenyl)quinazoline-2-thione;1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-thione
CID 159501033

Frequently Asked Questions

What is the IUPAC name of dipotassium;(2-amino-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone;6-(bromomethyl)-2,3-dimethoxyquinoxaline;[2-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone;1-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;hydride;oxido formate?
The IUPAC name of dipotassium;(2-amino-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone;6-(bromomethyl)-2,3-dimethoxyquinoxaline;[2-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone;1-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;hydride;oxido formate (CID 159000872) is dipotassium;(2-amino-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone;6-(bromomethyl)-2,3-dimethoxyquinoxaline;[2-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone;1-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;hydride;oxido formate.
What is the SMILES notation for dipotassium;(2-amino-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone;6-(bromomethyl)-2,3-dimethoxyquinoxaline;[2-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone;1-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;hydride;oxido formate?
The canonical SMILES for dipotassium;(2-amino-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone;6-(bromomethyl)-2,3-dimethoxyquinoxaline;[2-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone;1-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;hydride;oxido formate is C#CCOc1ccc(N)c(C(=O)c2ccc(C(C)C)cc2)c1.C#CCOc1ccc(NCc2ccc3nc(OC)c(OC)nc3c2)c(C(=O)c2ccc(C(C)C)cc2)c1.C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2Cc1ccc2nc(OC)c(OC)nc2c1.COc1nc2ccc(CBr)cc2nc1OC.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;(2-amino-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone;6-(bromomethyl)-2,3-dimethoxyquinoxaline;[2-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone;1-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;hydride;oxido formate?
The InChIKey is MLHKKSHCLCKYNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H28N4O4.C30H29N3O4.C19H19NO2.C11H11BrN2O2.CH2O3.2K.H/c1-6-15-39-23-12-14-27-24(17-23)28(22-10-8-21(9-11-22)19(2)3)34-31(36)35(27)18-20-7-13-25-26(16-20)33-30(38-5)29(32-25)37-4;1-6-15-37-23-12-14-25(24(17-23)28(34)22-10-8-21(9-11-22)19(2)3)31-18-20-7-13-26-27(16-20)33-30(36-5)29(32-26)35-4;1-4-11-22-16-9-10-18(20)17(12-16)19(21)15-7-5-14(6-8-15)13(2)3;1-15-10-11(16-2)14-9-5-7(6-12)3-4-8(9)13-10;2-1-4-3;;;/h1,7-14,16-17,19H,15,18H2,2-5H3;1,7-14,16-17,19,31H,15,18H2,2-5H3;1,5-10,12-13H,11,20H2,2-3H3;3-5H,6H2,1-2H3;1,3H;;;/q;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;(2-amino-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone;6-(bromomethyl)-2,3-dimethoxyquinoxaline;[2-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone;1-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;hydride;oxido formate?
dipotassium;(2-amino-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone;6-(bromomethyl)-2,3-dimethoxyquinoxaline;[2-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone;1-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;hydride;oxido formate has a molecular weight of 1732.88 g/mol, XLogP of 9.57, 27 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(2-amino-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone;6-(bromomethyl)-2,3-dimethoxyquinoxaline;[2-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]-5-prop-2-ynoxyphenyl]-(4-propan-2-ylphenyl)methanone;1-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;hydride;oxido formate is sourced from PubChem (CID 159000872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).