2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline

C24H14N6 — CID 140979665

IUPAC2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline
SMILESc1ccc2nc(-c3nc4ccccc4nc3-c3nncc4ccccc34)ncc2c1
InChIInChI=1S/C24H14N6/c1-3-9-17-15(7-1)14-26-30-21(17)22-23(28-20-12-6-5-11-19(20)27-22)24-25-13-16-8-2-4-10-18(16)29-24/h1-14H
InChIKeyKCSBFQDUHGULTJ-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.85
Rot. Bonds2

About 2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline

2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline (PubChem CID 140979665) has the molecular formula C24H14N6 and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline.

Molecular Properties

Compound Name2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline
PubChem CID140979665
Molecular FormulaC24H14N6
Molecular Weight386.42 g/mol
Exact Mass386.13
IUPAC Name2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline
SMILESc1ccc2nc(-c3nc4ccccc4nc3-c3nncc4ccccc34)ncc2c1
InChIInChI=1S/C24H14N6/c1-3-9-17-15(7-1)14-26-30-21(17)22-23(28-20-12-6-5-11-19(20)27-22)24-25-13-16-8-2-4-10-18(16)29-24/h1-14H
InChIKeyKCSBFQDUHGULTJ-UHFFFAOYSA-N
XLogP4.85
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-quinazolin-2-ylphthalazine
CID 57181955
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
6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine
CID 141186214
2-(1H-indazol-3-yl)quinazoline
CID 154276744
1-phenylphthalazine
CID 609624
phenanthridine
CID 9189
2-phenylquinazoline
CID 158733567
phenanthridine;platinum(2+)
CID 23616726
3-(4-phenylquinazolin-2-yl)phenanthridine
CID 155792537
2-(4,6-dichloropyrimidin-2-yl)quinazoline
CID 164863215
5-quinazolin-2-ylpyrimidin-2-amine
CID 154196702
methyl 4-quinazolin-2-ylbenzoate
CID 156769419

Frequently Asked Questions

What is the IUPAC name of 2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline?
The IUPAC name of 2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline (CID 140979665) is 2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline.
What is the SMILES notation for 2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline?
The canonical SMILES for 2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline is c1ccc2nc(-c3nc4ccccc4nc3-c3nncc4ccccc34)ncc2c1.
What is the InChIKey of 2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline?
The InChIKey is KCSBFQDUHGULTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N6/c1-3-9-17-15(7-1)14-26-30-21(17)22-23(28-20-12-6-5-11-19(20)27-22)24-25-13-16-8-2-4-10-18(16)29-24/h1-14H.
What are the key properties of 2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline?
2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline has a molecular weight of 386.42 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline is sourced from PubChem (CID 140979665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).