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

C68H63Br3Cl2N18 — CID 167662915

IUPACbis(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
SMILESCC(N)c1ccc(Br)cc1.CC(N)c1ccc(Br)cc1.CC(Nc1ncnc2ccccc12)c1ccc(-n2cncn2)cc1.CC(Nc1ncnc2ccccc12)c1ccc(Br)cc1.Clc1ncnc2ccccc12.Clc1ncnc2ccccc12.c1nc[nH]n1
InChIInChI=1S/C18H16N6.C16H14BrN3.2C8H10BrN.2C8H5ClN2.C2H3N3/c1-13(14-6-8-15(9-7-14)24-12-19-10-22-24)23-18-16-4-2-3-5-17(16)20-11-21-18;1-11(12-6-8-13(17)9-7-12)20-16-14-4-2-3-5-15(14)18-10-19-16;2*1-6(10)7-2-4-8(9)5-3-7;2*9-8-6-3-1-2-4-7(6)10-5-11-8;1-3-2-5-4-1/h2-13H,1H3,(H,20,21,23);2-11H,1H3,(H,18,19,20);2*2-6H,10H2,1H3;2*1-5H;1-2H,(H,3,4,5)
InChIKeySEYJBSBSPUVEPX-UHFFFAOYSA-N
MW1443.00 g/mol
LogP17.26
Rot. Bonds9

About 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

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 (PubChem CID 167662915) has the molecular formula C68H63Br3Cl2N18 and a molecular weight of 1443.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID167662915
Molecular FormulaC68H63Br3Cl2N18
Molecular Weight1443.00 g/mol
Exact Mass1438.24
IUPAC Namebis(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
SMILESCC(N)c1ccc(Br)cc1.CC(N)c1ccc(Br)cc1.CC(Nc1ncnc2ccccc12)c1ccc(-n2cncn2)cc1.CC(Nc1ncnc2ccccc12)c1ccc(Br)cc1.Clc1ncnc2ccccc12.Clc1ncnc2ccccc12.c1nc[nH]n1
InChIInChI=1S/C18H16N6.C16H14BrN3.2C8H10BrN.2C8H5ClN2.C2H3N3/c1-13(14-6-8-15(9-7-14)24-12-19-10-22-24)23-18-16-4-2-3-5-17(16)20-11-21-18;1-11(12-6-8-13(17)9-7-12)20-16-14-4-2-3-5-15(14)18-10-19-16;2*1-6(10)7-2-4-8(9)5-3-7;2*9-8-6-3-1-2-4-7(6)10-5-11-8;1-3-2-5-4-1/h2-13H,1H3,(H,20,21,23);2-11H,1H3,(H,18,19,20);2*2-6H,10H2,1H3;2*1-5H;1-2H,(H,3,4,5)
InChIKeySEYJBSBSPUVEPX-UHFFFAOYSA-N
XLogP17.26
TPSA251.50 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001443.00
LogP ≤ 517.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

2-N-(4-bromophenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
CID 91410397
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
N-[1-(4-bromophenyl)ethyl]quinazolin-4-amine;1H-1,2,4-triazole;N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine
CID 167581539

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(N)c1ccc(Br)cc1.CC(N)c1ccc(Br)cc1.CC(Nc1ncnc2ccccc12)c1ccc(-n2cncn2)cc1.CC(Nc1ncnc2ccccc12)c1ccc(Br)cc1.Clc1ncnc2ccccc12.Clc1ncnc2ccccc12.c1nc[nH]n1.
What is the InChIKey of 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?
The InChIKey is SEYJBSBSPUVEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6.C16H14BrN3.2C8H10BrN.2C8H5ClN2.C2H3N3/c1-13(14-6-8-15(9-7-14)24-12-19-10-22-24)23-18-16-4-2-3-5-17(16)20-11-21-18;1-11(12-6-8-13(17)9-7-12)20-16-14-4-2-3-5-15(14)18-10-19-16;2*1-6(10)7-2-4-8(9)5-3-7;2*9-8-6-3-1-2-4-7(6)10-5-11-8;1-3-2-5-4-1/h2-13H,1H3,(H,20,21,23);2-11H,1H3,(H,18,19,20);2*2-6H,10H2,1H3;2*1-5H;1-2H,(H,3,4,5).
What are the key properties of 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?
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 has a molecular weight of 1443.00 g/mol, XLogP of 17.26, 9 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167662915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).