2-amino-7-bromo-3H-quinazolin-4-one;4-N,7-bis(1H-pyrazol-5-yl)quinazoline-2,4-diamine;7-bromo-4-chloroquinazolin-2-amine;7-bromo-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;methanol;7-[2-(oxan-2-yl)pyrazol-3-yl]-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride;1H-pyrazol-5-amine;hydrochloride

C78H85BBr3Cl5N33O7P — CID 164991890

IUPAC2-amino-7-bromo-3H-quinazolin-4-one;4-N,7-bis(1H-pyrazol-5-yl)quinazoline-2,4-diamine;7-bromo-4-chloroquinazolin-2-amine;7-bromo-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;methanol;7-[2-(oxan-2-yl)pyrazol-3-yl]-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride;1H-pyrazol-5-amine;hydrochloride
SMILESCC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.CO.Cl.Nc1ccn[nH]1.Nc1nc(Cl)c2ccc(Br)cc2n1.Nc1nc(Nc2ccn[nH]2)c2ccc(-c3ccn[nH]3)cc2n1.Nc1nc(Nc2ccn[nH]2)c2ccc(-c3ccnn3C3CCCCO3)cc2n1.Nc1nc(Nc2ccn[nH]2)c2ccc(Br)cc2n1.Nc1nc2cc(Br)ccc2c(=O)[nH]1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C19H20N8O.C14H23BN2O3.C14H12N8.C11H9BrN6.C8H5BrClN3.C8H6BrN3O.C3H5N3.CH4O.Cl3OP.ClH/c20-19-23-14-11-12(15-6-9-22-27(15)17-3-1-2-10-28-17)4-5-13(14)18(25-19)24-16-7-8-21-26-16;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;15-14-18-11-7-8(10-3-5-16-21-10)1-2-9(11)13(20-14)19-12-4-6-17-22-12;12-6-1-2-7-8(5-6)15-11(13)17-10(7)16-9-3-4-14-18-9;9-4-1-2-5-6(3-4)12-8(11)13-7(5)10;9-4-1-2-5-6(3-4)11-8(10)12-7(5)13;4-3-1-2-5-6-3;1-2;1-5(2,3)4;/h4-9,11,17H,1-3,10H2,(H4,20,21,23,24,25,26);8-9,12H,5-7,10H2,1-4H3;1-7H,(H,16,21)(H4,15,17,18,19,20,22);1-5H,(H4,13,14,15,16,17,18);1-3H,(H2,11,12,13);1-3H,(H3,10,11,12,13);1-2H,(H3,4,5,6);2H,1H3;;1H
InChIKeyJSHCIEDHQLVPID-UHFFFAOYSA-N
MW2055.52 g/mol
LogP16.36
Rot. Bonds11

About 2-amino-7-bromo-3H-quinazolin-4-one;4-N,7-bis(1H-pyrazol-5-yl)quinazoline-2,4-diamine;7-bromo-4-chloroquinazolin-2-amine;7-bromo-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;methanol;7-[2-(oxan-2-yl)pyrazol-3-yl]-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride;1H-pyrazol-5-amine;hydrochloride

2-amino-7-bromo-3H-quinazolin-4-one;4-N,7-bis(1H-pyrazol-5-yl)quinazoline-2,4-diamine;7-bromo-4-chloroquinazolin-2-amine;7-bromo-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;methanol;7-[2-(oxan-2-yl)pyrazol-3-yl]-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride;1H-pyrazol-5-amine;hydrochloride (PubChem CID 164991890) has the molecular formula C78H85BBr3Cl5N33O7P and a molecular weight of 2055.52 g/mol. Its IUPAC name is 2-amino-7-bromo-3H-quinazolin-4-one;4-N,7-bis(1H-pyrazol-5-yl)quinazoline-2,4-diamine;7-bromo-4-chloroquinazolin-2-amine;7-bromo-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;methanol;7-[2-(oxan-2-yl)pyrazol-3-yl]-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride;1H-pyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name2-amino-7-bromo-3H-quinazolin-4-one;4-N,7-bis(1H-pyrazol-5-yl)quinazoline-2,4-diamine;7-bromo-4-chloroquinazolin-2-amine;7-bromo-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;methanol;7-[2-(oxan-2-yl)pyrazol-3-yl]-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride;1H-pyrazol-5-amine;hydrochloride
PubChem CID164991890
Molecular FormulaC78H85BBr3Cl5N33O7P
Molecular Weight2055.52 g/mol
Exact Mass2049.31
IUPAC Name2-amino-7-bromo-3H-quinazolin-4-one;4-N,7-bis(1H-pyrazol-5-yl)quinazoline-2,4-diamine;7-bromo-4-chloroquinazolin-2-amine;7-bromo-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;methanol;7-[2-(oxan-2-yl)pyrazol-3-yl]-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride;1H-pyrazol-5-amine;hydrochloride
SMILESCC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.CO.Cl.Nc1ccn[nH]1.Nc1nc(Cl)c2ccc(Br)cc2n1.Nc1nc(Nc2ccn[nH]2)c2ccc(-c3ccn[nH]3)cc2n1.Nc1nc(Nc2ccn[nH]2)c2ccc(-c3ccnn3C3CCCCO3)cc2n1.Nc1nc(Nc2ccn[nH]2)c2ccc(Br)cc2n1.Nc1nc2cc(Br)ccc2c(=O)[nH]1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C19H20N8O.C14H23BN2O3.C14H12N8.C11H9BrN6.C8H5BrClN3.C8H6BrN3O.C3H5N3.CH4O.Cl3OP.ClH/c20-19-23-14-11-12(15-6-9-22-27(15)17-3-1-2-10-28-17)4-5-13(14)18(25-19)24-16-7-8-21-26-16;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;15-14-18-11-7-8(10-3-5-16-21-10)1-2-9(11)13(20-14)19-12-4-6-17-22-12;12-6-1-2-7-8(5-6)15-11(13)17-10(7)16-9-3-4-14-18-9;9-4-1-2-5-6(3-4)12-8(11)13-7(5)10;9-4-1-2-5-6(3-4)11-8(10)12-7(5)13;4-3-1-2-5-6-3;1-2;1-5(2,3)4;/h4-9,11,17H,1-3,10H2,(H4,20,21,23,24,25,26);8-9,12H,5-7,10H2,1-4H3;1-7H,(H,16,21)(H4,15,17,18,19,20,22);1-5H,(H4,13,14,15,16,17,18);1-3H,(H2,11,12,13);1-3H,(H3,10,11,12,13);1-2H,(H3,4,5,6);2H,1H3;;1H
InChIKeyJSHCIEDHQLVPID-UHFFFAOYSA-N
XLogP16.36
TPSA594.34 Ų
H-Bond Donors16
H-Bond Acceptors34
Rotatable Bonds11
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002055.52
LogP ≤ 516.36
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-amino-7-bromo-3H-quinazolin-4-one;4-N,7-bis(1H-pyrazol-5-yl)quinazoline-2,4-diamine;7-bromo-4-chloroquinazolin-2-amine;7-bromo-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;methanol;7-[2-(oxan-2-yl)pyrazol-3-yl]-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride;1H-pyrazol-5-amine;hydrochloride with MolForge

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Related Compounds

4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4,7-bis(1H-pyrazol-5-yl)quinolin-2-amine;7-bromo-4-chloroquinolin-2-amine;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 160864121
2-amino-4-bromo-5-fluorobenzoic acid;3-[(2-amino-7-bromo-6-fluoroquinazolin-4-yl)amino]propan-1-ol;3-[[2-amino-6-fluoro-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]propan-1-ol;7-bromo-2,4-dichloro-6-fluoroquinazoline;7-bromo-6-fluoro-1H-quinazoline-2,4-dione;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride
CID 164956853
2-amino-7-bromo-5-fluoro-3H-quinazolin-4-one;3-[(2-amino-7-bromo-5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol;3-aminocyclohexan-1-ol;cis-(1R,3S)-3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;trans-(1S,3S)-3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 165047282
2-amino-4-bromo-5-chlorobenzoic acid;2-amino-7-bromo-6-chloro-3H-quinazolin-4-one;3-[(2-amino-7-bromo-6-chloroquinazolin-4-yl)amino]propan-1-ol;3-[[2-amino-6-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]propan-1-ol;3-[[2-amino-6-chloro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;methane;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride
CID 165049780
7-bromo-4-chloro-1-oxidoquinolin-1-ium;7-bromo-4-chloroquinolin-2-amine;7-bromo-4-chloroquinoline;7-bromo-1H-quinolin-4-one;4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine;2H-pyrrol-3-ylmethanamine
CID 167556219

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-bromo-3H-quinazolin-4-one;4-N,7-bis(1H-pyrazol-5-yl)quinazoline-2,4-diamine;7-bromo-4-chloroquinazolin-2-amine;7-bromo-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;methanol;7-[2-(oxan-2-yl)pyrazol-3-yl]-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride;1H-pyrazol-5-amine;hydrochloride?
The IUPAC name of 2-amino-7-bromo-3H-quinazolin-4-one;4-N,7-bis(1H-pyrazol-5-yl)quinazoline-2,4-diamine;7-bromo-4-chloroquinazolin-2-amine;7-bromo-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;methanol;7-[2-(oxan-2-yl)pyrazol-3-yl]-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride;1H-pyrazol-5-amine;hydrochloride (CID 164991890) is 2-amino-7-bromo-3H-quinazolin-4-one;4-N,7-bis(1H-pyrazol-5-yl)quinazoline-2,4-diamine;7-bromo-4-chloroquinazolin-2-amine;7-bromo-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;methanol;7-[2-(oxan-2-yl)pyrazol-3-yl]-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride;1H-pyrazol-5-amine;hydrochloride.
What is the SMILES notation for 2-amino-7-bromo-3H-quinazolin-4-one;4-N,7-bis(1H-pyrazol-5-yl)quinazoline-2,4-diamine;7-bromo-4-chloroquinazolin-2-amine;7-bromo-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;methanol;7-[2-(oxan-2-yl)pyrazol-3-yl]-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride;1H-pyrazol-5-amine;hydrochloride?
The canonical SMILES for 2-amino-7-bromo-3H-quinazolin-4-one;4-N,7-bis(1H-pyrazol-5-yl)quinazoline-2,4-diamine;7-bromo-4-chloroquinazolin-2-amine;7-bromo-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;methanol;7-[2-(oxan-2-yl)pyrazol-3-yl]-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride;1H-pyrazol-5-amine;hydrochloride is CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.CO.Cl.Nc1ccn[nH]1.Nc1nc(Cl)c2ccc(Br)cc2n1.Nc1nc(Nc2ccn[nH]2)c2ccc(-c3ccn[nH]3)cc2n1.Nc1nc(Nc2ccn[nH]2)c2ccc(-c3ccnn3C3CCCCO3)cc2n1.Nc1nc(Nc2ccn[nH]2)c2ccc(Br)cc2n1.Nc1nc2cc(Br)ccc2c(=O)[nH]1.O=P(Cl)(Cl)Cl.
What is the InChIKey of 2-amino-7-bromo-3H-quinazolin-4-one;4-N,7-bis(1H-pyrazol-5-yl)quinazoline-2,4-diamine;7-bromo-4-chloroquinazolin-2-amine;7-bromo-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;methanol;7-[2-(oxan-2-yl)pyrazol-3-yl]-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride;1H-pyrazol-5-amine;hydrochloride?
The InChIKey is JSHCIEDHQLVPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O.C14H23BN2O3.C14H12N8.C11H9BrN6.C8H5BrClN3.C8H6BrN3O.C3H5N3.CH4O.Cl3OP.ClH/c20-19-23-14-11-12(15-6-9-22-27(15)17-3-1-2-10-28-17)4-5-13(14)18(25-19)24-16-7-8-21-26-16;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;15-14-18-11-7-8(10-3-5-16-21-10)1-2-9(11)13(20-14)19-12-4-6-17-22-12;12-6-1-2-7-8(5-6)15-11(13)17-10(7)16-9-3-4-14-18-9;9-4-1-2-5-6(3-4)12-8(11)13-7(5)10;9-4-1-2-5-6(3-4)11-8(10)12-7(5)13;4-3-1-2-5-6-3;1-2;1-5(2,3)4;/h4-9,11,17H,1-3,10H2,(H4,20,21,23,24,25,26);8-9,12H,5-7,10H2,1-4H3;1-7H,(H,16,21)(H4,15,17,18,19,20,22);1-5H,(H4,13,14,15,16,17,18);1-3H,(H2,11,12,13);1-3H,(H3,10,11,12,13);1-2H,(H3,4,5,6);2H,1H3;;1H.
What are the key properties of 2-amino-7-bromo-3H-quinazolin-4-one;4-N,7-bis(1H-pyrazol-5-yl)quinazoline-2,4-diamine;7-bromo-4-chloroquinazolin-2-amine;7-bromo-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;methanol;7-[2-(oxan-2-yl)pyrazol-3-yl]-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride;1H-pyrazol-5-amine;hydrochloride?
2-amino-7-bromo-3H-quinazolin-4-one;4-N,7-bis(1H-pyrazol-5-yl)quinazoline-2,4-diamine;7-bromo-4-chloroquinazolin-2-amine;7-bromo-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;methanol;7-[2-(oxan-2-yl)pyrazol-3-yl]-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride;1H-pyrazol-5-amine;hydrochloride has a molecular weight of 2055.52 g/mol, XLogP of 16.36, 11 rotatable bonds, 16 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-bromo-3H-quinazolin-4-one;4-N,7-bis(1H-pyrazol-5-yl)quinazoline-2,4-diamine;7-bromo-4-chloroquinazolin-2-amine;7-bromo-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;methanol;7-[2-(oxan-2-yl)pyrazol-3-yl]-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;phosphoryl trichloride;1H-pyrazol-5-amine;hydrochloride is sourced from PubChem (CID 164991890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).