(3Z)-N-(3-bromophenyl)-6-chloro-3-hydrazinylidene-N-methyl-4H-isoquinolin-1-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline

C55H38Br3Cl7N14 — CID 172947083

IUPAC(3Z)-N-(3-bromophenyl)-6-chloro-3-hydrazinylidene-N-methyl-4H-isoquinolin-1-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline
SMILESCN(C1=N/C(=N\N)Cc2cc(Cl)ccc21)c1cccc(Br)c1.CN(c1cccc(Br)c1)c1nc(Cl)nc2cc(Cl)ccc12.CN(c1cccc(Br)c1)c1nc2nncn2c2cc(Cl)ccc12.Clc1ccc2c(Cl)nc(Cl)nc2c1
InChIInChI=1S/C16H11BrClN5.C16H14BrClN4.C15H10BrCl2N3.C8H3Cl3N2/c1-22(12-4-2-3-10(17)7-12)15-13-6-5-11(18)8-14(13)23-9-19-21-16(23)20-15;1-22(13-4-2-3-11(17)9-13)16-14-6-5-12(18)7-10(14)8-15(20-16)21-19;1-21(11-4-2-3-9(16)7-11)14-12-6-5-10(17)8-13(12)19-15(18)20-14;9-4-1-2-5-6(3-4)12-8(11)13-7(5)10/h2-9H,1H3;2-7,9H,8,19H2,1H3;2-8H,1H3;1-3H/b;21-15-;;
InChIKeyQFOLGFZSBICGFI-YKCICHFQSA-N
MW1382.89 g/mol
LogP17.33
Rot. Bonds5

About (3Z)-N-(3-bromophenyl)-6-chloro-3-hydrazinylidene-N-methyl-4H-isoquinolin-1-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline

(3Z)-N-(3-bromophenyl)-6-chloro-3-hydrazinylidene-N-methyl-4H-isoquinolin-1-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline (PubChem CID 172947083) has the molecular formula C55H38Br3Cl7N14 and a molecular weight of 1382.89 g/mol. Its IUPAC name is (3Z)-N-(3-bromophenyl)-6-chloro-3-hydrazinylidene-N-methyl-4H-isoquinolin-1-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline.

Molecular Properties

Compound Name(3Z)-N-(3-bromophenyl)-6-chloro-3-hydrazinylidene-N-methyl-4H-isoquinolin-1-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline
PubChem CID172947083
Molecular FormulaC55H38Br3Cl7N14
Molecular Weight1382.89 g/mol
Exact Mass1375.88
IUPAC Name(3Z)-N-(3-bromophenyl)-6-chloro-3-hydrazinylidene-N-methyl-4H-isoquinolin-1-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline
SMILESCN(C1=N/C(=N\N)Cc2cc(Cl)ccc21)c1cccc(Br)c1.CN(c1cccc(Br)c1)c1nc(Cl)nc2cc(Cl)ccc12.CN(c1cccc(Br)c1)c1nc2nncn2c2cc(Cl)ccc12.Clc1ccc2c(Cl)nc(Cl)nc2c1
InChIInChI=1S/C16H11BrClN5.C16H14BrClN4.C15H10BrCl2N3.C8H3Cl3N2/c1-22(12-4-2-3-10(17)7-12)15-13-6-5-11(18)8-14(13)23-9-19-21-16(23)20-15;1-22(13-4-2-3-11(17)9-13)16-14-6-5-12(18)7-10(14)8-15(20-16)21-19;1-21(11-4-2-3-9(16)7-11)14-12-6-5-10(17)8-13(12)19-15(18)20-14;9-4-1-2-5-6(3-4)12-8(11)13-7(5)10/h2-9H,1H3;2-7,9H,8,19H2,1H3;2-8H,1H3;1-3H/b;21-15-;;
InChIKeyQFOLGFZSBICGFI-YKCICHFQSA-N
XLogP17.33
TPSA155.10 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001382.89
LogP ≤ 517.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3Z)-N-(3-bromophenyl)-6-chloro-3-hydrazinylidene-N-methyl-4H-isoquinolin-1-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline with MolForge

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Related Compounds

US11845723, Example 408
CID 156536287
US11845723, Example 395
CID 156536970
US11845723, Example 695
CID 156537005
US11845723, Example 262
CID 156557250
US11845723, Example 400
CID 156557304
US11845723, Example 394
CID 156536498
US11845723, Example 185
CID 156536633
US11845723, Example 308
CID 156536764
US11845723, Example 530
CID 156557192
N-(3-bromophenyl)-8-chloro-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536310
N-(3-bromophenyl)-7,8-dichloro-1-[3-[(7,8-dichloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156556934
N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;8-chloro-N-(3-ethynylphenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;4-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,1,1-trifluoro-2-methylbut-3-yn-2-ol
CID 167701235

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(3-bromophenyl)-6-chloro-3-hydrazinylidene-N-methyl-4H-isoquinolin-1-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline?
The IUPAC name of (3Z)-N-(3-bromophenyl)-6-chloro-3-hydrazinylidene-N-methyl-4H-isoquinolin-1-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline (CID 172947083) is (3Z)-N-(3-bromophenyl)-6-chloro-3-hydrazinylidene-N-methyl-4H-isoquinolin-1-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline.
What is the SMILES notation for (3Z)-N-(3-bromophenyl)-6-chloro-3-hydrazinylidene-N-methyl-4H-isoquinolin-1-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline?
The canonical SMILES for (3Z)-N-(3-bromophenyl)-6-chloro-3-hydrazinylidene-N-methyl-4H-isoquinolin-1-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline is CN(C1=N/C(=N\N)Cc2cc(Cl)ccc21)c1cccc(Br)c1.CN(c1cccc(Br)c1)c1nc(Cl)nc2cc(Cl)ccc12.CN(c1cccc(Br)c1)c1nc2nncn2c2cc(Cl)ccc12.Clc1ccc2c(Cl)nc(Cl)nc2c1.
What is the InChIKey of (3Z)-N-(3-bromophenyl)-6-chloro-3-hydrazinylidene-N-methyl-4H-isoquinolin-1-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline?
The InChIKey is QFOLGFZSBICGFI-YKCICHFQSA-N. The full InChI is InChI=1S/C16H11BrClN5.C16H14BrClN4.C15H10BrCl2N3.C8H3Cl3N2/c1-22(12-4-2-3-10(17)7-12)15-13-6-5-11(18)8-14(13)23-9-19-21-16(23)20-15;1-22(13-4-2-3-11(17)9-13)16-14-6-5-12(18)7-10(14)8-15(20-16)21-19;1-21(11-4-2-3-9(16)7-11)14-12-6-5-10(17)8-13(12)19-15(18)20-14;9-4-1-2-5-6(3-4)12-8(11)13-7(5)10/h2-9H,1H3;2-7,9H,8,19H2,1H3;2-8H,1H3;1-3H/b;21-15-;;.
What are the key properties of (3Z)-N-(3-bromophenyl)-6-chloro-3-hydrazinylidene-N-methyl-4H-isoquinolin-1-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline?
(3Z)-N-(3-bromophenyl)-6-chloro-3-hydrazinylidene-N-methyl-4H-isoquinolin-1-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline has a molecular weight of 1382.89 g/mol, XLogP of 17.33, 5 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(3-bromophenyl)-6-chloro-3-hydrazinylidene-N-methyl-4H-isoquinolin-1-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline is sourced from PubChem (CID 172947083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).