N-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline

C39H22Br2Cl6F2N10 — CID 167535973

IUPACN-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline
SMILESCN(c1cc(F)cc(Br)c1)c1nc(Cl)nc2cc(Cl)ccc12.CN(c1cc(F)cc(Br)c1)c1nc2nncn2c2cc(Cl)ccc12.Clc1ccc2c(Cl)nc(Cl)nc2c1
InChIInChI=1S/C16H10BrClFN5.C15H9BrCl2FN3.C8H3Cl3N2/c1-23(12-5-9(17)4-11(19)7-12)15-13-3-2-10(18)6-14(13)24-8-20-22-16(24)21-15;1-22(11-5-8(16)4-10(19)7-11)14-12-3-2-9(17)6-13(12)20-15(18)21-14;9-4-1-2-5-6(3-4)12-8(11)13-7(5)10/h2-8H,1H3;2-7H,1H3;1-3H
InChIKeyAOJJNJPHYUFMAB-UHFFFAOYSA-N
MW1041.20 g/mol
LogP13.80
Rot. Bonds4

About N-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline

N-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline (PubChem CID 167535973) has the molecular formula C39H22Br2Cl6F2N10 and a molecular weight of 1041.20 g/mol. Its IUPAC name is N-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline.

Molecular Properties

Compound NameN-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline
PubChem CID167535973
Molecular FormulaC39H22Br2Cl6F2N10
Molecular Weight1041.20 g/mol
Exact Mass1035.85
IUPAC NameN-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline
SMILESCN(c1cc(F)cc(Br)c1)c1nc(Cl)nc2cc(Cl)ccc12.CN(c1cc(F)cc(Br)c1)c1nc2nncn2c2cc(Cl)ccc12.Clc1ccc2c(Cl)nc(Cl)nc2c1
InChIInChI=1S/C16H10BrClFN5.C15H9BrCl2FN3.C8H3Cl3N2/c1-23(12-5-9(17)4-11(19)7-12)15-13-3-2-10(18)6-14(13)24-8-20-22-16(24)21-15;1-22(11-5-8(16)4-10(19)7-11)14-12-3-2-9(17)6-13(12)20-15(18)21-14;9-4-1-2-5-6(3-4)12-8(11)13-7(5)10/h2-8H,1H3;2-7H,1H3;1-3H
InChIKeyAOJJNJPHYUFMAB-UHFFFAOYSA-N
XLogP13.80
TPSA101.12 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.20
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-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 272
CID 156536364
US11845723, Example 417
CID 156536492
US11845723, Example 430
CID 156536878
US11845723, Example 521
CID 156536937
US11845723, Example 395
CID 156536970
US11845723, Example 695
CID 156537005
US11845723, Example 459
CID 156537096
US11845723, Example 250
CID 156537521
US11845723, Example 494
CID 156556928
US11845723, Example 495
CID 156556930
US11845723, Example 496
CID 156556932

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline?
The IUPAC name of N-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline (CID 167535973) is N-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline.
What is the SMILES notation for N-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline?
The canonical SMILES for N-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline is CN(c1cc(F)cc(Br)c1)c1nc(Cl)nc2cc(Cl)ccc12.CN(c1cc(F)cc(Br)c1)c1nc2nncn2c2cc(Cl)ccc12.Clc1ccc2c(Cl)nc(Cl)nc2c1.
What is the InChIKey of N-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline?
The InChIKey is AOJJNJPHYUFMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClFN5.C15H9BrCl2FN3.C8H3Cl3N2/c1-23(12-5-9(17)4-11(19)7-12)15-13-3-2-10(18)6-14(13)24-8-20-22-16(24)21-15;1-22(11-5-8(16)4-10(19)7-11)14-12-3-2-9(17)6-13(12)20-15(18)21-14;9-4-1-2-5-6(3-4)12-8(11)13-7(5)10/h2-8H,1H3;2-7H,1H3;1-3H.
What are the key properties of N-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline?
N-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline has a molecular weight of 1041.20 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline is sourced from PubChem (CID 167535973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).