3-(3-bromophenyl)-4H-pyrazole;4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;N-[(1R)-1-phenylethyl]-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine

C91H98BBrClI2N17O2 — CID 165065098

IUPAC3-(3-bromophenyl)-4H-pyrazole;4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;N-[(1R)-1-phenylethyl]-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine
SMILESBrc1cccc(C2=NN=CC2)c1.C.C.C.C.C[C@@H](N)c1ccccc1.C[C@@H](Nc1ncnc2ccc(-c3cccc(-c4ncn[nH]4)c3)cc12)c1ccccc1.C[C@@H](Nc1ncnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12)c1ccccc1.C[C@@H](Nc1ncnc2ccc(I)cc12)c1ccccc1.Clc1ncnc2ccc(I)cc12
InChIInChI=1S/C24H20N6.C22H26BN3O2.C16H14IN3.C9H7BrN2.C8H4ClIN2.C8H11N.4CH4/c1-16(17-6-3-2-4-7-17)29-24-21-13-19(10-11-22(21)25-14-26-24)18-8-5-9-20(12-18)23-27-15-28-30-23;1-15(16-9-7-6-8-10-16)26-20-18-13-17(11-12-19(18)24-14-25-20)23-27-21(2,3)22(4,5)28-23;1-11(12-5-3-2-4-6-12)20-16-14-9-13(17)7-8-15(14)18-10-19-16;10-8-3-1-2-7(6-8)9-4-5-11-12-9;9-8-6-3-5(10)1-2-7(6)11-4-12-8;1-7(9)8-5-3-2-4-6-8;;;;/h2-16H,1H3,(H,25,26,29)(H,27,28,30);6-15H,1-5H3,(H,24,25,26);2-11H,1H3,(H,18,19,20);1-3,5-6H,4H2;1-4H;2-7H,9H2,1H3;4*1H4/t16-;15-;11-;;;7-;;;;/m111..1..../s1
InChIKeyRVGHWWIFFSEKAS-HUHORGQOSA-N
MW1841.88 g/mol
LogP23.53
Rot. Bonds14

About 3-(3-bromophenyl)-4H-pyrazole;4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;N-[(1R)-1-phenylethyl]-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine

3-(3-bromophenyl)-4H-pyrazole;4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;N-[(1R)-1-phenylethyl]-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine (PubChem CID 165065098) has the molecular formula C91H98BBrClI2N17O2 and a molecular weight of 1841.88 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4H-pyrazole;4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;N-[(1R)-1-phenylethyl]-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-4H-pyrazole;4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;N-[(1R)-1-phenylethyl]-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine
PubChem CID165065098
Molecular FormulaC91H98BBrClI2N17O2
Molecular Weight1841.88 g/mol
Exact Mass1839.51
IUPAC Name3-(3-bromophenyl)-4H-pyrazole;4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;N-[(1R)-1-phenylethyl]-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine
SMILESBrc1cccc(C2=NN=CC2)c1.C.C.C.C.C[C@@H](N)c1ccccc1.C[C@@H](Nc1ncnc2ccc(-c3cccc(-c4ncn[nH]4)c3)cc12)c1ccccc1.C[C@@H](Nc1ncnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12)c1ccccc1.C[C@@H](Nc1ncnc2ccc(I)cc12)c1ccccc1.Clc1ncnc2ccc(I)cc12
InChIInChI=1S/C24H20N6.C22H26BN3O2.C16H14IN3.C9H7BrN2.C8H4ClIN2.C8H11N.4CH4/c1-16(17-6-3-2-4-7-17)29-24-21-13-19(10-11-22(21)25-14-26-24)18-8-5-9-20(12-18)23-27-15-28-30-23;1-15(16-9-7-6-8-10-16)26-20-18-13-17(11-12-19(18)24-14-25-20)23-27-21(2,3)22(4,5)28-23;1-11(12-5-3-2-4-6-12)20-16-14-9-13(17)7-8-15(14)18-10-19-16;10-8-3-1-2-7(6-8)9-4-5-11-12-9;9-8-6-3-5(10)1-2-7(6)11-4-12-8;1-7(9)8-5-3-2-4-6-8;;;;/h2-16H,1H3,(H,25,26,29)(H,27,28,30);6-15H,1-5H3,(H,24,25,26);2-11H,1H3,(H,18,19,20);1-3,5-6H,4H2;1-4H;2-7H,9H2,1H3;4*1H4/t16-;15-;11-;;;7-;;;;/m111..1..../s1
InChIKeyRVGHWWIFFSEKAS-HUHORGQOSA-N
XLogP23.53
TPSA249.98 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001841.88
LogP ≤ 523.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 3-(3-bromophenyl)-4H-pyrazole;4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;N-[(1R)-1-phenylethyl]-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine 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

6-bromo-2-chloro-4-methylquinazoline;6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-(1H-pyrazol-4-yl)-N-pyridin-3-ylquinazolin-2-amine;pyridin-3-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
CID 159291031
6-bromo-2-chloro-4-methylquinazoline;6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine;methanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
CID 162136450
5-bromo-3-methanimidoylpyridin-2-amine;methane;N-(1-phenylethyl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinazolin-4-amine;N-(1-phenylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine
CID 165015913
5-(3-bromophenyl)-1H-1,2,4-triazole;methane;4-(1-phenylethylamino)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-3-carbonitrile;4-(1-phenylethylamino)-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinoline-3-carbonitrile
CID 165031389
6-bromo-4-chloroquinoline-3-carbonitrile;6-bromo-4-(1-phenylethylamino)quinoline-3-carbonitrile;methane;4-(1-phenylethylamino)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[5,4-b]pyridine
CID 165046056
bis(1-(4-bromophenyl)ethanamine);N-[1-(4-bromophenyl)ethyl]quinazolin-4-amine;bis(4-chloroquinazoline);1H-1,2,4-triazole;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine
CID 167662915

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-4H-pyrazole;4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;N-[(1R)-1-phenylethyl]-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine?
The IUPAC name of 3-(3-bromophenyl)-4H-pyrazole;4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;N-[(1R)-1-phenylethyl]-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine (CID 165065098) is 3-(3-bromophenyl)-4H-pyrazole;4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;N-[(1R)-1-phenylethyl]-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 3-(3-bromophenyl)-4H-pyrazole;4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;N-[(1R)-1-phenylethyl]-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for 3-(3-bromophenyl)-4H-pyrazole;4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;N-[(1R)-1-phenylethyl]-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine is Brc1cccc(C2=NN=CC2)c1.C.C.C.C.C[C@@H](N)c1ccccc1.C[C@@H](Nc1ncnc2ccc(-c3cccc(-c4ncn[nH]4)c3)cc12)c1ccccc1.C[C@@H](Nc1ncnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12)c1ccccc1.C[C@@H](Nc1ncnc2ccc(I)cc12)c1ccccc1.Clc1ncnc2ccc(I)cc12.
What is the InChIKey of 3-(3-bromophenyl)-4H-pyrazole;4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;N-[(1R)-1-phenylethyl]-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine?
The InChIKey is RVGHWWIFFSEKAS-HUHORGQOSA-N. The full InChI is InChI=1S/C24H20N6.C22H26BN3O2.C16H14IN3.C9H7BrN2.C8H4ClIN2.C8H11N.4CH4/c1-16(17-6-3-2-4-7-17)29-24-21-13-19(10-11-22(21)25-14-26-24)18-8-5-9-20(12-18)23-27-15-28-30-23;1-15(16-9-7-6-8-10-16)26-20-18-13-17(11-12-19(18)24-14-25-20)23-27-21(2,3)22(4,5)28-23;1-11(12-5-3-2-4-6-12)20-16-14-9-13(17)7-8-15(14)18-10-19-16;10-8-3-1-2-7(6-8)9-4-5-11-12-9;9-8-6-3-5(10)1-2-7(6)11-4-12-8;1-7(9)8-5-3-2-4-6-8;;;;/h2-16H,1H3,(H,25,26,29)(H,27,28,30);6-15H,1-5H3,(H,24,25,26);2-11H,1H3,(H,18,19,20);1-3,5-6H,4H2;1-4H;2-7H,9H2,1H3;4*1H4/t16-;15-;11-;;;7-;;;;/m111..1..../s1.
What are the key properties of 3-(3-bromophenyl)-4H-pyrazole;4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;N-[(1R)-1-phenylethyl]-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine?
3-(3-bromophenyl)-4H-pyrazole;4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;N-[(1R)-1-phenylethyl]-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine has a molecular weight of 1841.88 g/mol, XLogP of 23.53, 14 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4H-pyrazole;4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;N-[(1R)-1-phenylethyl]-6-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 165065098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).