sodium;2-amino-5-nitrobenzamide;azane;bis(N-(2-carbamoyl-4-nitrophenyl)pyrazine-2-carboxamide);4-chloro-6-nitro-2-pyrazin-2-ylquinazoline;N-[3-(difluoromethoxy)phenyl]-6-nitro-2-pyrazin-2-ylquinazolin-4-amine;ethanol;hydroxylamine;iron;methane;6-nitro-2-pyrazin-2-yl-3H-quinazolin-4-one;phosphoryl trichloride;pyrazine-2-carbonyl chloride;hydroxide;hydrochloride

C84H79Cl6F2FeN33NaO24P — CID 158413111

IUPACsodium;2-amino-5-nitrobenzamide;azane;bis(N-(2-carbamoyl-4-nitrophenyl)pyrazine-2-carboxamide);4-chloro-6-nitro-2-pyrazin-2-ylquinazoline;N-[3-(difluoromethoxy)phenyl]-6-nitro-2-pyrazin-2-ylquinazolin-4-amine;ethanol;hydroxylamine;iron;methane;6-nitro-2-pyrazin-2-yl-3H-quinazolin-4-one;phosphoryl trichloride;pyrazine-2-carbonyl chloride;hydroxide;hydrochloride
SMILESC.C.C.CCO.Cl.N.NC(=O)c1cc([N+](=O)[O-])ccc1N.NC(=O)c1cc([N+](=O)[O-])ccc1NC(=O)c1cnccn1.NC(=O)c1cc([N+](=O)[O-])ccc1NC(=O)c1cnccn1.NO.O=C(Cl)c1cnccn1.O=P(Cl)(Cl)Cl.O=[N+]([O-])c1ccc2nc(-c3cnccn3)nc(Cl)c2c1.O=[N+]([O-])c1ccc2nc(-c3cnccn3)nc(Nc3cccc(OC(F)F)c3)c2c1.O=c1[nH]c(-c2cnccn2)nc2ccc([N+](=O)[O-])cc12.[Fe].[Na+].[OH-]
InChIInChI=1S/C19H12F2N6O3.C12H6ClN5O2.2C12H9N5O4.C12H7N5O3.C7H7N3O3.C5H3ClN2O.C2H6O.3CH4.Cl3OP.ClH.Fe.H3NO.H3N.Na.H2O/c20-19(21)30-13-3-1-2-11(8-13)24-17-14-9-12(27(28)29)4-5-15(14)25-18(26-17)16-10-22-6-7-23-16;13-11-8-5-7(18(19)20)1-2-9(8)16-12(17-11)10-6-14-3-4-15-10;2*13-11(18)8-5-7(17(20)21)1-2-9(8)16-12(19)10-6-14-3-4-15-10;18-12-8-5-7(17(19)20)1-2-9(8)15-11(16-12)10-6-13-3-4-14-10;8-6-2-1-4(10(12)13)3-5(6)7(9)11;6-5(9)4-3-7-1-2-8-4;1-2-3;;;;1-5(2,3)4;;;1-2;;;/h1-10,19H,(H,24,25,26);1-6H;2*1-6H,(H2,13,18)(H,16,19);1-6H,(H,15,16,18);1-3H,8H2,(H2,9,11);1-3H;3H,2H2,1H3;3*1H4;;1H;;2H,1H2;1H3;;1H2/q;;;;;;;;;;;;;;;;+1;/p-1
InChIKeyKVSVELORWBBTKH-UHFFFAOYSA-M
MW2295.29 g/mol
LogP12.34
Rot. Bonds21

About sodium;2-amino-5-nitrobenzamide;azane;bis(N-(2-carbamoyl-4-nitrophenyl)pyrazine-2-carboxamide);4-chloro-6-nitro-2-pyrazin-2-ylquinazoline;N-[3-(difluoromethoxy)phenyl]-6-nitro-2-pyrazin-2-ylquinazolin-4-amine;ethanol;hydroxylamine;iron;methane;6-nitro-2-pyrazin-2-yl-3H-quinazolin-4-one;phosphoryl trichloride;pyrazine-2-carbonyl chloride;hydroxide;hydrochloride

sodium;2-amino-5-nitrobenzamide;azane;bis(N-(2-carbamoyl-4-nitrophenyl)pyrazine-2-carboxamide);4-chloro-6-nitro-2-pyrazin-2-ylquinazoline;N-[3-(difluoromethoxy)phenyl]-6-nitro-2-pyrazin-2-ylquinazolin-4-amine;ethanol;hydroxylamine;iron;methane;6-nitro-2-pyrazin-2-yl-3H-quinazolin-4-one;phosphoryl trichloride;pyrazine-2-carbonyl chloride;hydroxide;hydrochloride (PubChem CID 158413111) has the molecular formula C84H79Cl6F2FeN33NaO24P and a molecular weight of 2295.29 g/mol. Its IUPAC name is sodium;2-amino-5-nitrobenzamide;azane;bis(N-(2-carbamoyl-4-nitrophenyl)pyrazine-2-carboxamide);4-chloro-6-nitro-2-pyrazin-2-ylquinazoline;N-[3-(difluoromethoxy)phenyl]-6-nitro-2-pyrazin-2-ylquinazolin-4-amine;ethanol;hydroxylamine;iron;methane;6-nitro-2-pyrazin-2-yl-3H-quinazolin-4-one;phosphoryl trichloride;pyrazine-2-carbonyl chloride;hydroxide;hydrochloride.

Molecular Properties

Compound Namesodium;2-amino-5-nitrobenzamide;azane;bis(N-(2-carbamoyl-4-nitrophenyl)pyrazine-2-carboxamide);4-chloro-6-nitro-2-pyrazin-2-ylquinazoline;N-[3-(difluoromethoxy)phenyl]-6-nitro-2-pyrazin-2-ylquinazolin-4-amine;ethanol;hydroxylamine;iron;methane;6-nitro-2-pyrazin-2-yl-3H-quinazolin-4-one;phosphoryl trichloride;pyrazine-2-carbonyl chloride;hydroxide;hydrochloride
PubChem CID158413111
Molecular FormulaC84H79Cl6F2FeN33NaO24P
Molecular Weight2295.29 g/mol
Exact Mass2291.31
IUPAC Namesodium;2-amino-5-nitrobenzamide;azane;bis(N-(2-carbamoyl-4-nitrophenyl)pyrazine-2-carboxamide);4-chloro-6-nitro-2-pyrazin-2-ylquinazoline;N-[3-(difluoromethoxy)phenyl]-6-nitro-2-pyrazin-2-ylquinazolin-4-amine;ethanol;hydroxylamine;iron;methane;6-nitro-2-pyrazin-2-yl-3H-quinazolin-4-one;phosphoryl trichloride;pyrazine-2-carbonyl chloride;hydroxide;hydrochloride
SMILESC.C.C.CCO.Cl.N.NC(=O)c1cc([N+](=O)[O-])ccc1N.NC(=O)c1cc([N+](=O)[O-])ccc1NC(=O)c1cnccn1.NC(=O)c1cc([N+](=O)[O-])ccc1NC(=O)c1cnccn1.NO.O=C(Cl)c1cnccn1.O=P(Cl)(Cl)Cl.O=[N+]([O-])c1ccc2nc(-c3cnccn3)nc(Cl)c2c1.O=[N+]([O-])c1ccc2nc(-c3cnccn3)nc(Nc3cccc(OC(F)F)c3)c2c1.O=c1[nH]c(-c2cnccn2)nc2ccc([N+](=O)[O-])cc12.[Fe].[Na+].[OH-]
InChIInChI=1S/C19H12F2N6O3.C12H6ClN5O2.2C12H9N5O4.C12H7N5O3.C7H7N3O3.C5H3ClN2O.C2H6O.3CH4.Cl3OP.ClH.Fe.H3NO.H3N.Na.H2O/c20-19(21)30-13-3-1-2-11(8-13)24-17-14-9-12(27(28)29)4-5-15(14)25-18(26-17)16-10-22-6-7-23-16;13-11-8-5-7(18(19)20)1-2-9(8)16-12(17-11)10-6-14-3-4-15-10;2*13-11(18)8-5-7(17(20)21)1-2-9(8)16-12(19)10-6-14-3-4-15-10;18-12-8-5-7(17(19)20)1-2-9(8)15-11(16-12)10-6-13-3-4-14-10;8-6-2-1-4(10(12)13)3-5(6)7(9)11;6-5(9)4-3-7-1-2-8-4;1-2-3;;;;1-5(2,3)4;;;1-2;;;/h1-10,19H,(H,24,25,26);1-6H;2*1-6H,(H2,13,18)(H,16,19);1-6H,(H,15,16,18);1-3H,8H2,(H2,9,11);1-3H;3H,2H2,1H3;3*1H4;;1H;;2H,1H2;1H3;;1H2/q;;;;;;;;;;;;;;;;+1;/p-1
InChIKeyKVSVELORWBBTKH-UHFFFAOYSA-M
XLogP12.34
TPSA911.20 Ų
H-Bond Donors12
H-Bond Acceptors45
Rotatable Bonds21
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002295.29
LogP ≤ 512.34
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze sodium;2-amino-5-nitrobenzamide;azane;bis(N-(2-carbamoyl-4-nitrophenyl)pyrazine-2-carboxamide);4-chloro-6-nitro-2-pyrazin-2-ylquinazoline;N-[3-(difluoromethoxy)phenyl]-6-nitro-2-pyrazin-2-ylquinazolin-4-amine;ethanol;hydroxylamine;iron;methane;6-nitro-2-pyrazin-2-yl-3H-quinazolin-4-one;phosphoryl trichloride;pyrazine-2-carbonyl chloride;hydroxide;hydrochloride with MolForge

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Related Compounds

2-[4-[3-(difluoromethoxy)anilino]-2-pyrazin-2-ylquinazolin-6-yl]-1-(4-methoxycyclohexyl)ethanone
CID 148987571
2-[4-[3-(difluoromethoxy)anilino]-2-pyrazin-2-ylquinazolin-6-yl]-1-(oxan-4-yl)ethanone
CID 147156857
2-aminobenzamide;4-chloro-2-(4-methylphenyl)quinazoline;2-[(4-methylbenzoyl)amino]benzamide;4-methylbenzoyl chloride;2-(4-methylphenyl)-3H-quinazolin-4-one;4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid
CID 158245292
5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine
CID 67298464
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 7990092
N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55778991
8-amino-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-8-yl]pyrazine-2-carboxamide;pyrazine-2-carboxylic acid
CID 160508527
N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
CID 71180101
N-(2-chloro-4-nitrophenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108792492
N-[3-[[5-fluoro-4-(4-fluoroanilino)pyrimidin-2-yl]amino]phenyl]pyrazine-2-carboxamide
CID 127035030
N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide
CID 71470924
(2-carbamoyl-4-nitroanilino) 2-oxobutanoate
CID 91448131

Frequently Asked Questions

What is the IUPAC name of sodium;2-amino-5-nitrobenzamide;azane;bis(N-(2-carbamoyl-4-nitrophenyl)pyrazine-2-carboxamide);4-chloro-6-nitro-2-pyrazin-2-ylquinazoline;N-[3-(difluoromethoxy)phenyl]-6-nitro-2-pyrazin-2-ylquinazolin-4-amine;ethanol;hydroxylamine;iron;methane;6-nitro-2-pyrazin-2-yl-3H-quinazolin-4-one;phosphoryl trichloride;pyrazine-2-carbonyl chloride;hydroxide;hydrochloride?
The IUPAC name of sodium;2-amino-5-nitrobenzamide;azane;bis(N-(2-carbamoyl-4-nitrophenyl)pyrazine-2-carboxamide);4-chloro-6-nitro-2-pyrazin-2-ylquinazoline;N-[3-(difluoromethoxy)phenyl]-6-nitro-2-pyrazin-2-ylquinazolin-4-amine;ethanol;hydroxylamine;iron;methane;6-nitro-2-pyrazin-2-yl-3H-quinazolin-4-one;phosphoryl trichloride;pyrazine-2-carbonyl chloride;hydroxide;hydrochloride (CID 158413111) is sodium;2-amino-5-nitrobenzamide;azane;bis(N-(2-carbamoyl-4-nitrophenyl)pyrazine-2-carboxamide);4-chloro-6-nitro-2-pyrazin-2-ylquinazoline;N-[3-(difluoromethoxy)phenyl]-6-nitro-2-pyrazin-2-ylquinazolin-4-amine;ethanol;hydroxylamine;iron;methane;6-nitro-2-pyrazin-2-yl-3H-quinazolin-4-one;phosphoryl trichloride;pyrazine-2-carbonyl chloride;hydroxide;hydrochloride.
What is the SMILES notation for sodium;2-amino-5-nitrobenzamide;azane;bis(N-(2-carbamoyl-4-nitrophenyl)pyrazine-2-carboxamide);4-chloro-6-nitro-2-pyrazin-2-ylquinazoline;N-[3-(difluoromethoxy)phenyl]-6-nitro-2-pyrazin-2-ylquinazolin-4-amine;ethanol;hydroxylamine;iron;methane;6-nitro-2-pyrazin-2-yl-3H-quinazolin-4-one;phosphoryl trichloride;pyrazine-2-carbonyl chloride;hydroxide;hydrochloride?
The canonical SMILES for sodium;2-amino-5-nitrobenzamide;azane;bis(N-(2-carbamoyl-4-nitrophenyl)pyrazine-2-carboxamide);4-chloro-6-nitro-2-pyrazin-2-ylquinazoline;N-[3-(difluoromethoxy)phenyl]-6-nitro-2-pyrazin-2-ylquinazolin-4-amine;ethanol;hydroxylamine;iron;methane;6-nitro-2-pyrazin-2-yl-3H-quinazolin-4-one;phosphoryl trichloride;pyrazine-2-carbonyl chloride;hydroxide;hydrochloride is C.C.C.CCO.Cl.N.NC(=O)c1cc([N+](=O)[O-])ccc1N.NC(=O)c1cc([N+](=O)[O-])ccc1NC(=O)c1cnccn1.NC(=O)c1cc([N+](=O)[O-])ccc1NC(=O)c1cnccn1.NO.O=C(Cl)c1cnccn1.O=P(Cl)(Cl)Cl.O=[N+]([O-])c1ccc2nc(-c3cnccn3)nc(Cl)c2c1.O=[N+]([O-])c1ccc2nc(-c3cnccn3)nc(Nc3cccc(OC(F)F)c3)c2c1.O=c1[nH]c(-c2cnccn2)nc2ccc([N+](=O)[O-])cc12.[Fe].[Na+].[OH-].
What is the InChIKey of sodium;2-amino-5-nitrobenzamide;azane;bis(N-(2-carbamoyl-4-nitrophenyl)pyrazine-2-carboxamide);4-chloro-6-nitro-2-pyrazin-2-ylquinazoline;N-[3-(difluoromethoxy)phenyl]-6-nitro-2-pyrazin-2-ylquinazolin-4-amine;ethanol;hydroxylamine;iron;methane;6-nitro-2-pyrazin-2-yl-3H-quinazolin-4-one;phosphoryl trichloride;pyrazine-2-carbonyl chloride;hydroxide;hydrochloride?
The InChIKey is KVSVELORWBBTKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H12F2N6O3.C12H6ClN5O2.2C12H9N5O4.C12H7N5O3.C7H7N3O3.C5H3ClN2O.C2H6O.3CH4.Cl3OP.ClH.Fe.H3NO.H3N.Na.H2O/c20-19(21)30-13-3-1-2-11(8-13)24-17-14-9-12(27(28)29)4-5-15(14)25-18(26-17)16-10-22-6-7-23-16;13-11-8-5-7(18(19)20)1-2-9(8)16-12(17-11)10-6-14-3-4-15-10;2*13-11(18)8-5-7(17(20)21)1-2-9(8)16-12(19)10-6-14-3-4-15-10;18-12-8-5-7(17(19)20)1-2-9(8)15-11(16-12)10-6-13-3-4-14-10;8-6-2-1-4(10(12)13)3-5(6)7(9)11;6-5(9)4-3-7-1-2-8-4;1-2-3;;;;1-5(2,3)4;;;1-2;;;/h1-10,19H,(H,24,25,26);1-6H;2*1-6H,(H2,13,18)(H,16,19);1-6H,(H,15,16,18);1-3H,8H2,(H2,9,11);1-3H;3H,2H2,1H3;3*1H4;;1H;;2H,1H2;1H3;;1H2/q;;;;;;;;;;;;;;;;+1;/p-1.
What are the key properties of sodium;2-amino-5-nitrobenzamide;azane;bis(N-(2-carbamoyl-4-nitrophenyl)pyrazine-2-carboxamide);4-chloro-6-nitro-2-pyrazin-2-ylquinazoline;N-[3-(difluoromethoxy)phenyl]-6-nitro-2-pyrazin-2-ylquinazolin-4-amine;ethanol;hydroxylamine;iron;methane;6-nitro-2-pyrazin-2-yl-3H-quinazolin-4-one;phosphoryl trichloride;pyrazine-2-carbonyl chloride;hydroxide;hydrochloride?
sodium;2-amino-5-nitrobenzamide;azane;bis(N-(2-carbamoyl-4-nitrophenyl)pyrazine-2-carboxamide);4-chloro-6-nitro-2-pyrazin-2-ylquinazoline;N-[3-(difluoromethoxy)phenyl]-6-nitro-2-pyrazin-2-ylquinazolin-4-amine;ethanol;hydroxylamine;iron;methane;6-nitro-2-pyrazin-2-yl-3H-quinazolin-4-one;phosphoryl trichloride;pyrazine-2-carbonyl chloride;hydroxide;hydrochloride has a molecular weight of 2295.29 g/mol, XLogP of 12.34, 21 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-amino-5-nitrobenzamide;azane;bis(N-(2-carbamoyl-4-nitrophenyl)pyrazine-2-carboxamide);4-chloro-6-nitro-2-pyrazin-2-ylquinazoline;N-[3-(difluoromethoxy)phenyl]-6-nitro-2-pyrazin-2-ylquinazolin-4-amine;ethanol;hydroxylamine;iron;methane;6-nitro-2-pyrazin-2-yl-3H-quinazolin-4-one;phosphoryl trichloride;pyrazine-2-carbonyl chloride;hydroxide;hydrochloride is sourced from PubChem (CID 158413111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).