1-quinazolin-2-ylphthalazine

C16H10N4 — CID 57181955

IUPAC1-quinazolin-2-ylphthalazine
SMILESc1ccc2nc(-c3nncc4ccccc34)ncc2c1
InChIInChI=1S/C16H10N4/c1-3-7-13-11(5-1)10-18-20-15(13)16-17-9-12-6-2-4-8-14(12)19-16/h1-10H
InChIKeyBYFLPCUJLFHCMS-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.24
Rot. Bonds1

About 1-quinazolin-2-ylphthalazine

1-quinazolin-2-ylphthalazine (PubChem CID 57181955) has the molecular formula C16H10N4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-quinazolin-2-ylphthalazine.

Molecular Properties

Compound Name1-quinazolin-2-ylphthalazine
PubChem CID57181955
Molecular FormulaC16H10N4
Molecular Weight258.28 g/mol
Exact Mass258.09
IUPAC Name1-quinazolin-2-ylphthalazine
SMILESc1ccc2nc(-c3nncc4ccccc34)ncc2c1
InChIInChI=1S/C16H10N4/c1-3-7-13-11(5-1)10-18-20-15(13)16-17-9-12-6-2-4-8-14(12)19-16/h1-10H
InChIKeyBYFLPCUJLFHCMS-UHFFFAOYSA-N
XLogP3.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline
CID 140979665
2-(1H-indazol-3-yl)quinazoline
CID 154276744
1-phenylphthalazine
CID 609624
6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine
CID 141186214
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
2-phenylquinazoline
CID 158733567
phenanthridine
CID 9189
phenanthridine;platinum(2+)
CID 23616726
5-quinazolin-2-ylpyrimidin-2-amine
CID 154196702
2-(4,6-dichloropyrimidin-2-yl)quinazoline
CID 164863215
methyl 4-quinazolin-2-ylbenzoate
CID 156769419
2-[2-(1H-indol-3-yl)phenyl]quinazoline
CID 141386701

Frequently Asked Questions

What is the IUPAC name of 1-quinazolin-2-ylphthalazine?
The IUPAC name of 1-quinazolin-2-ylphthalazine (CID 57181955) is 1-quinazolin-2-ylphthalazine.
What is the SMILES notation for 1-quinazolin-2-ylphthalazine?
The canonical SMILES for 1-quinazolin-2-ylphthalazine is c1ccc2nc(-c3nncc4ccccc34)ncc2c1.
What is the InChIKey of 1-quinazolin-2-ylphthalazine?
The InChIKey is BYFLPCUJLFHCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4/c1-3-7-13-11(5-1)10-18-20-15(13)16-17-9-12-6-2-4-8-14(12)19-16/h1-10H.
What are the key properties of 1-quinazolin-2-ylphthalazine?
1-quinazolin-2-ylphthalazine has a molecular weight of 258.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinazolin-2-ylphthalazine is sourced from PubChem (CID 57181955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).