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

C71H87BBr2F4N22O7 — CID 165047282

IUPAC2-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
SMILESCC1(C)OB(c2ccn[nH]2)OC1(C)C.NC1CCCC(O)C1.Nc1nc(NC2CCCC(O)C2)c2c(F)cc(Br)cc2n1.Nc1nc(N[C@H]2CCC[C@@H](O)C2)c2c(F)cc(-c3ccn[nH]3)cc2n1.Nc1nc(N[C@H]2CCC[C@H](O)C2)c2c(F)cc(-c3ccn[nH]3)cc2n1.Nc1nc2cc(Br)cc(F)c2c(=O)[nH]1
InChIInChI=1S/2C17H19FN6O.C14H16BrFN4O.C9H15BN2O2.C8H5BrFN3O.C6H13NO/c2*18-12-6-9(13-4-5-20-24-13)7-14-15(12)16(23-17(19)22-14)21-10-2-1-3-11(25)8-10;15-7-4-10(16)12-11(5-7)19-14(17)20-13(12)18-8-2-1-3-9(21)6-8;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;9-3-1-4(10)6-5(2-3)12-8(11)13-7(6)14;7-5-2-1-3-6(8)4-5/h2*4-7,10-11,25H,1-3,8H2,(H,20,24)(H3,19,21,22,23);4-5,8-9,21H,1-3,6H2,(H3,17,18,19,20);5-6H,1-4H3,(H,11,12);1-2H,(H3,11,12,13,14);5-6,8H,1-4,7H2/t10-,11+;10-,11-;;;;/m00..../s1
InChIKeyPCNCGUBXLJWWLO-CYQNMYBLSA-N
MW1607.24 g/mol
LogP10.11
Rot. Bonds9

About 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

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 (PubChem CID 165047282) has the molecular formula C71H87BBr2F4N22O7 and a molecular weight of 1607.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID165047282
Molecular FormulaC71H87BBr2F4N22O7
Molecular Weight1607.24 g/mol
Exact Mass1604.55
IUPAC Name2-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
SMILESCC1(C)OB(c2ccn[nH]2)OC1(C)C.NC1CCCC(O)C1.Nc1nc(NC2CCCC(O)C2)c2c(F)cc(Br)cc2n1.Nc1nc(N[C@H]2CCC[C@@H](O)C2)c2c(F)cc(-c3ccn[nH]3)cc2n1.Nc1nc(N[C@H]2CCC[C@H](O)C2)c2c(F)cc(-c3ccn[nH]3)cc2n1.Nc1nc2cc(Br)cc(F)c2c(=O)[nH]1
InChIInChI=1S/2C17H19FN6O.C14H16BrFN4O.C9H15BN2O2.C8H5BrFN3O.C6H13NO/c2*18-12-6-9(13-4-5-20-24-13)7-14-15(12)16(23-17(19)22-14)21-10-2-1-3-11(25)8-10;15-7-4-10(16)12-11(5-7)19-14(17)20-13(12)18-8-2-1-3-9(21)6-8;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;9-3-1-4(10)6-5(2-3)12-8(11)13-7(6)14;7-5-2-1-3-6(8)4-5/h2*4-7,10-11,25H,1-3,8H2,(H,20,24)(H3,19,21,22,23);4-5,8-9,21H,1-3,6H2,(H3,17,18,19,20);5-6H,1-4H3,(H,11,12);1-2H,(H3,11,12,13,14);5-6,8H,1-4,7H2/t10-,11+;10-,11-;;;;/m00..../s1
InChIKeyPCNCGUBXLJWWLO-CYQNMYBLSA-N
XLogP10.11
TPSA474.70 Ų
H-Bond Donors16
H-Bond Acceptors25
Rotatable Bonds9
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001607.24
LogP ≤ 510.11
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-7-bromo-5-fluoro-3H-quinazolin-4-one;3-[(2-amino-7-bromo-5-fluoroquinazolin-4-yl)amino]propan-1-ol;3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2,6-difluorobenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride
CID 164968537
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
2-amino-7-bromo-5-methyl-3H-quinazolin-4-one;3-[(2-amino-7-bromo-5-methylquinazolin-4-yl)amino]propan-1-ol;3-[[2-amino-5-methyl-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2-fluoro-6-methylbenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride
CID 164997066
2-amino-7-bromo-3H-quinazolin-4-one;3-[(2-amino-7-bromoquinazolin-4-yl)amino]propan-1-ol;3-aminopropan-1-ol;3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 165058309
2-amino-7-bromo-5-(dimethylamino)-3H-quinazolin-4-one;3-[[2-amino-7-bromo-5-(dimethylamino)quinazolin-4-yl]amino]propan-1-ol;3-[[2-amino-5-(dimethylamino)-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2,6-difluorobenzoate;methyl 4-bromo-2-(dimethylamino)-6-fluorobenzoate;propane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole;hydrochloride
CID 165106522

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)OB(c2ccn[nH]2)OC1(C)C.NC1CCCC(O)C1.Nc1nc(NC2CCCC(O)C2)c2c(F)cc(Br)cc2n1.Nc1nc(N[C@H]2CCC[C@@H](O)C2)c2c(F)cc(-c3ccn[nH]3)cc2n1.Nc1nc(N[C@H]2CCC[C@H](O)C2)c2c(F)cc(-c3ccn[nH]3)cc2n1.Nc1nc2cc(Br)cc(F)c2c(=O)[nH]1.
What is the InChIKey of 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?
The InChIKey is PCNCGUBXLJWWLO-CYQNMYBLSA-N. The full InChI is InChI=1S/2C17H19FN6O.C14H16BrFN4O.C9H15BN2O2.C8H5BrFN3O.C6H13NO/c2*18-12-6-9(13-4-5-20-24-13)7-14-15(12)16(23-17(19)22-14)21-10-2-1-3-11(25)8-10;15-7-4-10(16)12-11(5-7)19-14(17)20-13(12)18-8-2-1-3-9(21)6-8;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;9-3-1-4(10)6-5(2-3)12-8(11)13-7(6)14;7-5-2-1-3-6(8)4-5/h2*4-7,10-11,25H,1-3,8H2,(H,20,24)(H3,19,21,22,23);4-5,8-9,21H,1-3,6H2,(H3,17,18,19,20);5-6H,1-4H3,(H,11,12);1-2H,(H3,11,12,13,14);5-6,8H,1-4,7H2/t10-,11+;10-,11-;;;;/m00..../s1.
What are the key properties of 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?
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 has a molecular weight of 1607.24 g/mol, XLogP of 10.11, 9 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165047282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).