disodium;2-amino-5-bromo-3-methoxybenzamide;azane;6-bromo-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyrazin-2-yl-3,1-benzoxazin-4-one;6-bromo-8-methoxy-2-pyrazin-2-yl-3H-quinazolin-4-one;deuteriomethane;1,1-dichloroethane;fluoromethane;6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;hydride;oxido formate;pyrazine-2-carboxylic acid;hydrate

C78H76Br4Cl2F2N22Na2O15 — CID 159216481

IUPACdisodium;2-amino-5-bromo-3-methoxybenzamide;azane;6-bromo-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyrazin-2-yl-3,1-benzoxazin-4-one;6-bromo-8-methoxy-2-pyrazin-2-yl-3H-quinazolin-4-one;deuteriomethane;1,1-dichloroethane;fluoromethane;6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;hydride;oxido formate;pyrazine-2-carboxylic acid;hydrate
SMILESCC(Cl)Cl.CF.CNc1nc(-c2cnccn2)nc2c(OC)cc(-c3ccc(F)cc3)cc12.CNc1nc(-c2cnccn2)nc2c(OC)cc(Br)cc12.COc1cc(Br)cc(C(N)=O)c1N.COc1cc(Br)cc2c(=O)[nH]c(-c3cnccn3)nc12.COc1cc(Br)cc2c(=O)oc(-c3cnccn3)nc12.N.O.O=C(O)c1cnccn1.O=CO[O-].[2H]C.[H-].[Na+].[Na+]
InChIInChI=1S/C20H16FN5O.C14H12BrN5O.C13H9BrN4O2.C13H8BrN3O3.C8H9BrN2O2.C5H4N2O2.C2H4Cl2.CH3F.CH2O3.CH4.H3N.2Na.H2O.H/c1-22-19-15-9-13(12-3-5-14(21)6-4-12)10-17(27-2)18(15)25-20(26-19)16-11-23-7-8-24-16;1-16-13-9-5-8(15)6-11(21-2)12(9)19-14(20-13)10-7-17-3-4-18-10;1-20-10-5-7(14)4-8-11(10)17-12(18-13(8)19)9-6-15-2-3-16-9;1-19-10-5-7(14)4-8-11(10)17-12(20-13(8)18)9-6-15-2-3-16-9;1-13-6-3-4(9)2-5(7(6)10)8(11)12;8-5(9)4-3-6-1-2-7-4;1-2(3)4;1-2;2-1-4-3;;;;;;/h3-11H,1-2H3,(H,22,25,26);3-7H,1-2H3,(H,16,19,20);2-6H,1H3,(H,17,18,19);2-6H,1H3;2-3H,10H2,1H3,(H2,11,12);1-3H,(H,8,9);2H,1H3;1H3;1,3H;1H4;1H3;;;1H2;/q;;;;;;;;;;;2*+1;;-1/p-1/i;;;;;;;;;1D;;;;;
InChIKeyCRBBKHOHDNIZDA-QSLMHYELSA-M
MW2037.11 g/mol
LogP7.65
Rot. Bonds15

About disodium;2-amino-5-bromo-3-methoxybenzamide;azane;6-bromo-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyrazin-2-yl-3,1-benzoxazin-4-one;6-bromo-8-methoxy-2-pyrazin-2-yl-3H-quinazolin-4-one;deuteriomethane;1,1-dichloroethane;fluoromethane;6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;hydride;oxido formate;pyrazine-2-carboxylic acid;hydrate

disodium;2-amino-5-bromo-3-methoxybenzamide;azane;6-bromo-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyrazin-2-yl-3,1-benzoxazin-4-one;6-bromo-8-methoxy-2-pyrazin-2-yl-3H-quinazolin-4-one;deuteriomethane;1,1-dichloroethane;fluoromethane;6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;hydride;oxido formate;pyrazine-2-carboxylic acid;hydrate (PubChem CID 159216481) has the molecular formula C78H76Br4Cl2F2N22Na2O15 and a molecular weight of 2037.11 g/mol. Its IUPAC name is disodium;2-amino-5-bromo-3-methoxybenzamide;azane;6-bromo-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyrazin-2-yl-3,1-benzoxazin-4-one;6-bromo-8-methoxy-2-pyrazin-2-yl-3H-quinazolin-4-one;deuteriomethane;1,1-dichloroethane;fluoromethane;6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;hydride;oxido formate;pyrazine-2-carboxylic acid;hydrate.

Molecular Properties

Compound Namedisodium;2-amino-5-bromo-3-methoxybenzamide;azane;6-bromo-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyrazin-2-yl-3,1-benzoxazin-4-one;6-bromo-8-methoxy-2-pyrazin-2-yl-3H-quinazolin-4-one;deuteriomethane;1,1-dichloroethane;fluoromethane;6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;hydride;oxido formate;pyrazine-2-carboxylic acid;hydrate
PubChem CID159216481
Molecular FormulaC78H76Br4Cl2F2N22Na2O15
Molecular Weight2037.11 g/mol
Exact Mass2031.18
IUPAC Namedisodium;2-amino-5-bromo-3-methoxybenzamide;azane;6-bromo-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyrazin-2-yl-3,1-benzoxazin-4-one;6-bromo-8-methoxy-2-pyrazin-2-yl-3H-quinazolin-4-one;deuteriomethane;1,1-dichloroethane;fluoromethane;6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;hydride;oxido formate;pyrazine-2-carboxylic acid;hydrate
SMILESCC(Cl)Cl.CF.CNc1nc(-c2cnccn2)nc2c(OC)cc(-c3ccc(F)cc3)cc12.CNc1nc(-c2cnccn2)nc2c(OC)cc(Br)cc12.COc1cc(Br)cc(C(N)=O)c1N.COc1cc(Br)cc2c(=O)[nH]c(-c3cnccn3)nc12.COc1cc(Br)cc2c(=O)oc(-c3cnccn3)nc12.N.O.O=C(O)c1cnccn1.O=CO[O-].[2H]C.[H-].[Na+].[Na+]
InChIInChI=1S/C20H16FN5O.C14H12BrN5O.C13H9BrN4O2.C13H8BrN3O3.C8H9BrN2O2.C5H4N2O2.C2H4Cl2.CH3F.CH2O3.CH4.H3N.2Na.H2O.H/c1-22-19-15-9-13(12-3-5-14(21)6-4-12)10-17(27-2)18(15)25-20(26-19)16-11-23-7-8-24-16;1-16-13-9-5-8(15)6-11(21-2)12(9)19-14(20-13)10-7-17-3-4-18-10;1-20-10-5-7(14)4-8-11(10)17-12(18-13(8)19)9-6-15-2-3-16-9;1-19-10-5-7(14)4-8-11(10)17-12(20-13(8)18)9-6-15-2-3-16-9;1-13-6-3-4(9)2-5(7(6)10)8(11)12;8-5(9)4-3-6-1-2-7-4;1-2(3)4;1-2;2-1-4-3;;;;;;/h3-11H,1-2H3,(H,22,25,26);3-7H,1-2H3,(H,16,19,20);2-6H,1H3,(H,17,18,19);2-6H,1H3;2-3H,10H2,1H3,(H2,11,12);1-3H,(H,8,9);2H,1H3;1H3;1,3H;1H4;1H3;;;1H2;/q;;;;;;;;;;;2*+1;;-1/p-1/i;;;;;;;;;1D;;;;;
InChIKeyCRBBKHOHDNIZDA-QSLMHYELSA-M
XLogP7.65
TPSA561.79 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds15
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002037.11
LogP ≤ 57.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze disodium;2-amino-5-bromo-3-methoxybenzamide;azane;6-bromo-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyrazin-2-yl-3,1-benzoxazin-4-one;6-bromo-8-methoxy-2-pyrazin-2-yl-3H-quinazolin-4-one;deuteriomethane;1,1-dichloroethane;fluoromethane;6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;hydride;oxido formate;pyrazine-2-carboxylic acid;hydrate with MolForge

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Related Compounds

acetic acid;2-amino-5-bromo-3-methoxybenzaldehyde;6-bromo-8-methoxyquinazoline;methanimidamide;N-[3-(6-pyridin-4-ylquinazolin-8-yl)phenyl]prop-2-enamide
CID 159302314

Frequently Asked Questions

What is the IUPAC name of disodium;2-amino-5-bromo-3-methoxybenzamide;azane;6-bromo-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyrazin-2-yl-3,1-benzoxazin-4-one;6-bromo-8-methoxy-2-pyrazin-2-yl-3H-quinazolin-4-one;deuteriomethane;1,1-dichloroethane;fluoromethane;6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;hydride;oxido formate;pyrazine-2-carboxylic acid;hydrate?
The IUPAC name of disodium;2-amino-5-bromo-3-methoxybenzamide;azane;6-bromo-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyrazin-2-yl-3,1-benzoxazin-4-one;6-bromo-8-methoxy-2-pyrazin-2-yl-3H-quinazolin-4-one;deuteriomethane;1,1-dichloroethane;fluoromethane;6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;hydride;oxido formate;pyrazine-2-carboxylic acid;hydrate (CID 159216481) is disodium;2-amino-5-bromo-3-methoxybenzamide;azane;6-bromo-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyrazin-2-yl-3,1-benzoxazin-4-one;6-bromo-8-methoxy-2-pyrazin-2-yl-3H-quinazolin-4-one;deuteriomethane;1,1-dichloroethane;fluoromethane;6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;hydride;oxido formate;pyrazine-2-carboxylic acid;hydrate.
What is the SMILES notation for disodium;2-amino-5-bromo-3-methoxybenzamide;azane;6-bromo-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyrazin-2-yl-3,1-benzoxazin-4-one;6-bromo-8-methoxy-2-pyrazin-2-yl-3H-quinazolin-4-one;deuteriomethane;1,1-dichloroethane;fluoromethane;6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;hydride;oxido formate;pyrazine-2-carboxylic acid;hydrate?
The canonical SMILES for disodium;2-amino-5-bromo-3-methoxybenzamide;azane;6-bromo-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyrazin-2-yl-3,1-benzoxazin-4-one;6-bromo-8-methoxy-2-pyrazin-2-yl-3H-quinazolin-4-one;deuteriomethane;1,1-dichloroethane;fluoromethane;6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;hydride;oxido formate;pyrazine-2-carboxylic acid;hydrate is CC(Cl)Cl.CF.CNc1nc(-c2cnccn2)nc2c(OC)cc(-c3ccc(F)cc3)cc12.CNc1nc(-c2cnccn2)nc2c(OC)cc(Br)cc12.COc1cc(Br)cc(C(N)=O)c1N.COc1cc(Br)cc2c(=O)[nH]c(-c3cnccn3)nc12.COc1cc(Br)cc2c(=O)oc(-c3cnccn3)nc12.N.O.O=C(O)c1cnccn1.O=CO[O-].[2H]C.[H-].[Na+].[Na+].
What is the InChIKey of disodium;2-amino-5-bromo-3-methoxybenzamide;azane;6-bromo-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyrazin-2-yl-3,1-benzoxazin-4-one;6-bromo-8-methoxy-2-pyrazin-2-yl-3H-quinazolin-4-one;deuteriomethane;1,1-dichloroethane;fluoromethane;6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;hydride;oxido formate;pyrazine-2-carboxylic acid;hydrate?
The InChIKey is CRBBKHOHDNIZDA-QSLMHYELSA-M. The full InChI is InChI=1S/C20H16FN5O.C14H12BrN5O.C13H9BrN4O2.C13H8BrN3O3.C8H9BrN2O2.C5H4N2O2.C2H4Cl2.CH3F.CH2O3.CH4.H3N.2Na.H2O.H/c1-22-19-15-9-13(12-3-5-14(21)6-4-12)10-17(27-2)18(15)25-20(26-19)16-11-23-7-8-24-16;1-16-13-9-5-8(15)6-11(21-2)12(9)19-14(20-13)10-7-17-3-4-18-10;1-20-10-5-7(14)4-8-11(10)17-12(18-13(8)19)9-6-15-2-3-16-9;1-19-10-5-7(14)4-8-11(10)17-12(20-13(8)18)9-6-15-2-3-16-9;1-13-6-3-4(9)2-5(7(6)10)8(11)12;8-5(9)4-3-6-1-2-7-4;1-2(3)4;1-2;2-1-4-3;;;;;;/h3-11H,1-2H3,(H,22,25,26);3-7H,1-2H3,(H,16,19,20);2-6H,1H3,(H,17,18,19);2-6H,1H3;2-3H,10H2,1H3,(H2,11,12);1-3H,(H,8,9);2H,1H3;1H3;1,3H;1H4;1H3;;;1H2;/q;;;;;;;;;;;2*+1;;-1/p-1/i;;;;;;;;;1D;;;;;.
What are the key properties of disodium;2-amino-5-bromo-3-methoxybenzamide;azane;6-bromo-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyrazin-2-yl-3,1-benzoxazin-4-one;6-bromo-8-methoxy-2-pyrazin-2-yl-3H-quinazolin-4-one;deuteriomethane;1,1-dichloroethane;fluoromethane;6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;hydride;oxido formate;pyrazine-2-carboxylic acid;hydrate?
disodium;2-amino-5-bromo-3-methoxybenzamide;azane;6-bromo-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyrazin-2-yl-3,1-benzoxazin-4-one;6-bromo-8-methoxy-2-pyrazin-2-yl-3H-quinazolin-4-one;deuteriomethane;1,1-dichloroethane;fluoromethane;6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;hydride;oxido formate;pyrazine-2-carboxylic acid;hydrate has a molecular weight of 2037.11 g/mol, XLogP of 7.65, 15 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-amino-5-bromo-3-methoxybenzamide;azane;6-bromo-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;6-bromo-8-methoxy-2-pyrazin-2-yl-3,1-benzoxazin-4-one;6-bromo-8-methoxy-2-pyrazin-2-yl-3H-quinazolin-4-one;deuteriomethane;1,1-dichloroethane;fluoromethane;6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrazin-2-ylquinazolin-4-amine;hydride;oxido formate;pyrazine-2-carboxylic acid;hydrate is sourced from PubChem (CID 159216481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).