N-(5-bromo-2-chlorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C16H10BrCl2N5 — CID 156557290

IUPACN-(5-bromo-2-chlorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1cc(Br)ccc1Cl)c1nc2nncn2c2cc(Cl)ccc12
InChIInChI=1S/C16H10BrCl2N5/c1-23(14-6-9(17)2-5-12(14)19)15-11-4-3-10(18)7-13(11)24-8-20-22-16(24)21-15/h2-8H,1H3
InChIKeyVFBMXWZMMLNUFX-UHFFFAOYSA-N
MW423.10 g/mol
LogP5.11
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

N-(5-bromo-2-chlorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156557290) has the molecular formula C16H10BrCl2N5 and a molecular weight of 423.10 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156557290
Molecular FormulaC16H10BrCl2N5
Molecular Weight423.10 g/mol
Exact Mass420.95
IUPAC NameN-(5-bromo-2-chlorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1cc(Br)ccc1Cl)c1nc2nncn2c2cc(Cl)ccc12
InChIInChI=1S/C16H10BrCl2N5/c1-23(14-6-9(17)2-5-12(14)19)15-11-4-3-10(18)7-13(11)24-8-20-22-16(24)21-15/h2-8H,1H3
InChIKeyVFBMXWZMMLNUFX-UHFFFAOYSA-N
XLogP5.11
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.10
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-8-chloro-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536310
8-chloro-N-methyl-N-[3-(2,4,6-trimethylphenyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536503
4-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]benzoic acid
CID 156557680
8-chloro-N-methyl-N-[3-(4-propan-2-ylsulfonylphenyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536755
N-(3-bromophenyl)-1,8-dichloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156557187
8-chloro-N-[3-(4,4-difluoro-3,3-dimethylbut-1-ynyl)-5-fluorophenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 165380770
8-chloro-N-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156557173
8-chloro-N-methyl-N-[3-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156557499
5-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]-1,3-dihydroindol-2-one
CID 156536939
N-[4-[3-[(8-chloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]phenyl]phenyl]-2,2-dimethylpropanamide
CID 156536307
N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;8-chloro-N-methyl-N-[3-(4-morpholin-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 167636265
N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536787

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156557290) is N-(5-bromo-2-chlorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CN(c1cc(Br)ccc1Cl)c1nc2nncn2c2cc(Cl)ccc12.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is VFBMXWZMMLNUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl2N5/c1-23(14-6-9(17)2-5-12(14)19)15-11-4-3-10(18)7-13(11)24-8-20-22-16(24)21-15/h2-8H,1H3.
What are the key properties of N-(5-bromo-2-chlorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
N-(5-bromo-2-chlorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 423.10 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156557290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).