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

C40H22N10 — CID 141186214

IUPAC6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine
SMILESc1ccc2nc(-c3cc4nnnc(-c5ncc6ccccc6n5)c4c(-c4cnc5ccccc5n4)c3-c3nncc4ccccc34)ccc2c1
InChIInChI=1S/C40H22N10/c1-4-12-26-24(10-1)21-43-48-38(26)35-27(30-18-17-23-9-2-5-13-28(23)44-30)19-33-37(36(35)34-22-41-31-15-7-8-16-32(31)45-34)39(49-50-47-33)40-42-20-25-11-3-6-14-29(25)46-40/h1-22H
InChIKeyXYMZKEMLBQAXFR-UHFFFAOYSA-N
MW642.69 g/mol
LogP8.07
Rot. Bonds4

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

6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine (PubChem CID 141186214) has the molecular formula C40H22N10 and a molecular weight of 642.69 g/mol. Its IUPAC name is 6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine.

Molecular Properties

Compound Name6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine
PubChem CID141186214
Molecular FormulaC40H22N10
Molecular Weight642.69 g/mol
Exact Mass642.20
IUPAC Name6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine
SMILESc1ccc2nc(-c3cc4nnnc(-c5ncc6ccccc6n5)c4c(-c4cnc5ccccc5n4)c3-c3nncc4ccccc34)ccc2c1
InChIInChI=1S/C40H22N10/c1-4-12-26-24(10-1)21-43-48-38(26)35-27(30-18-17-23-9-2-5-13-28(23)44-30)19-33-37(36(35)34-22-41-31-15-7-8-16-32(31)45-34)39(49-50-47-33)40-42-20-25-11-3-6-14-29(25)46-40/h1-22H
InChIKeyXYMZKEMLBQAXFR-UHFFFAOYSA-N
XLogP8.07
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.69
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

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
1-quinazolin-2-ylphthalazine
CID 57181955
2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline
CID 140979665
2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline
CID 141107881
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-[4-(2-phenyl-6-pyren-1-ylpyrimidin-4-yl)phenyl]quinazoline
CID 130263647
2-(1H-indazol-3-yl)quinazoline
CID 154276744
2-naphthalen-2-ylnonacyclo[17.8.1.04,26.06,25.09,24.011,23.014,22.016,21.020,27]octacosa-1,3,6(25),7,9(24),11(23),12,14(22),16(21),17,19,26-dodecaene;5-(2-nonacyclo[17.8.1.04,26.06,25.09,24.011,23.014,22.016,21.020,27]octacosa-1,3,6(25),7,9(24),11(23),12,14(22),16(21),17,19,26-dodecaenyl)-2-phenylpyrimidine;2-(2-nonacyclo[17.8.1.04,26.06,25.09,24.011,23.014,22.016,21.020,27]octacosa-1,3,6(25),7,9(24),11(23),12,14(22),16(21),17,19,26-dodecaenyl)-4-phenylquinazoline;2-(2-nonacyclo[17.8.1.04,26.06,25.09,24.011,23.014,22.016,21.020,27]octacosa-1,3,6(25),7,9(24),11(23),12,14(22),16(21),17,19,26-dodecaenyl)quinazoline;2-(2-nonacyclo[17.8.1.04,26.06,25.09,24.011,23.014,22.016,21.020,27]octacosa-1,3,6(25),7,9(24),11(23),12,14(22),16(21),17,19,26-dodecaenyl)quinoxaline
CID 159951853
phenanthridine
CID 9189
2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]quinazoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]quinazoline
CID 164989766
1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline
CID 54062793
2-phenylquinazoline
CID 158733567

Frequently Asked Questions

What is the IUPAC name of 6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine?
The IUPAC name of 6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine (CID 141186214) is 6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine.
What is the SMILES notation for 6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine?
The canonical SMILES for 6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine is c1ccc2nc(-c3cc4nnnc(-c5ncc6ccccc6n5)c4c(-c4cnc5ccccc5n4)c3-c3nncc4ccccc34)ccc2c1.
What is the InChIKey of 6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine?
The InChIKey is XYMZKEMLBQAXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N10/c1-4-12-26-24(10-1)21-43-48-38(26)35-27(30-18-17-23-9-2-5-13-28(23)44-30)19-33-37(36(35)34-22-41-31-15-7-8-16-32(31)45-34)39(49-50-47-33)40-42-20-25-11-3-6-14-29(25)46-40/h1-22H.
What are the key properties of 6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine?
6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine has a molecular weight of 642.69 g/mol, XLogP of 8.07, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine is sourced from PubChem (CID 141186214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).