7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine

C49H27N11 — CID 141186223

IUPAC7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine
SMILESc1ccc2nc(-c3c(-c4nccc5ccccc45)c(-c4nncc5ccccc45)c(-c4cnc5ccccc5n4)c4c(-c5ncc6ccccc6n5)nnnc34)ccc2c1
InChIInChI=1S/C49H27N11/c1-5-15-32-28(11-1)23-24-50-45(32)43-41(38-22-21-29-12-3-7-17-34(29)54-38)47-44(48(59-60-58-47)49-52-25-31-14-4-8-18-35(31)56-49)40(39-27-51-36-19-9-10-20-37(36)55-39)42(43)46-33-16-6-2-13-30(33)26-53-57-46/h1-27H
InChIKeyJZRCDCPETYNTGC-UHFFFAOYSA-N
MW769.83 g/mol
LogP10.29
Rot. Bonds5

About 7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine

7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine (PubChem CID 141186223) has the molecular formula C49H27N11 and a molecular weight of 769.83 g/mol. Its IUPAC name is 7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine.

Molecular Properties

Compound Name7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine
PubChem CID141186223
Molecular FormulaC49H27N11
Molecular Weight769.83 g/mol
Exact Mass769.25
IUPAC Name7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine
SMILESc1ccc2nc(-c3c(-c4nccc5ccccc45)c(-c4nncc5ccccc45)c(-c4cnc5ccccc5n4)c4c(-c5ncc6ccccc6n5)nnnc34)ccc2c1
InChIInChI=1S/C49H27N11/c1-5-15-32-28(11-1)23-24-50-45(32)43-41(38-22-21-29-12-3-7-17-34(29)54-38)47-44(48(59-60-58-47)49-52-25-31-14-4-8-18-35(31)56-49)40(39-27-51-36-19-9-10-20-37(36)55-39)42(43)46-33-16-6-2-13-30(33)26-53-57-46/h1-27H
InChIKeyJZRCDCPETYNTGC-UHFFFAOYSA-N
XLogP10.29
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500769.83
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine with MolForge

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Launch Full Analysis

Related Compounds

6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine
CID 141186214
2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline
CID 140979665
1-quinazolin-2-ylphthalazine
CID 57181955
1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline
CID 54062793
1-(3-naphthalen-1-yl-4-phenanthren-1-yl-2-phenyl-5-pyren-1-yl-6-quinolin-2-ylphenyl)isoquinoline
CID 141096360
6-isoquinolin-1-yl-2-(1,5-naphthyridin-2-yl)-3-phthalazin-1-yl-8-(7H-purin-2-yl)-5-quinolin-2-yl-7-(4H-quinolizin-1-yl)quinoxaline
CID 141049051
2-[5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-6-pyrazin-2-yl-7-pyrimidin-2-yl-4-quinolin-2-yl-1H-indol-2-yl]quinoxaline
CID 141152611
cinnoline;4-cinnolin-3-yl-5-isoquinolin-1-yl-6-quinolin-2-yl-1,2,3-benzotriazine;isoquinoline;phthalazine;quinazoline;quinoline;quinoxaline
CID 173045101
2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline
CID 141121734
7-(1H-benzimidazol-2-yl)-6-(1H-benzotriazol-4-yl)-2-isoquinolin-1-yl-4-(7H-purin-2-yl)-3-quinolin-2-yl-1,5-naphthyridine
CID 141329829
2-(1H-indazol-3-yl)quinazoline
CID 154276744
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 160610851

Frequently Asked Questions

What is the IUPAC name of 7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine?
The IUPAC name of 7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine (CID 141186223) is 7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine.
What is the SMILES notation for 7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine?
The canonical SMILES for 7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine is c1ccc2nc(-c3c(-c4nccc5ccccc45)c(-c4nncc5ccccc45)c(-c4cnc5ccccc5n4)c4c(-c5ncc6ccccc6n5)nnnc34)ccc2c1.
What is the InChIKey of 7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine?
The InChIKey is JZRCDCPETYNTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H27N11/c1-5-15-32-28(11-1)23-24-50-45(32)43-41(38-22-21-29-12-3-7-17-34(29)54-38)47-44(48(59-60-58-47)49-52-25-31-14-4-8-18-35(31)56-49)40(39-27-51-36-19-9-10-20-37(36)55-39)42(43)46-33-16-6-2-13-30(33)26-53-57-46/h1-27H.
What are the key properties of 7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine?
7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine has a molecular weight of 769.83 g/mol, XLogP of 10.29, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine is sourced from PubChem (CID 141186223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).