4-quinolin-7-ylphthalazin-1-amine

C17H12N4 — CID 81227899

IUPAC4-quinolin-7-ylphthalazin-1-amine
SMILESNc1nnc(-c2ccc3cccnc3c2)c2ccccc12
InChIInChI=1S/C17H12N4/c18-17-14-6-2-1-5-13(14)16(20-21-17)12-8-7-11-4-3-9-19-15(11)10-12/h1-10H,(H2,18,21)
InChIKeyAIRPSXKAZYLCJA-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.43
Rot. Bonds1

About 4-quinolin-7-ylphthalazin-1-amine

4-quinolin-7-ylphthalazin-1-amine (PubChem CID 81227899) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-quinolin-7-ylphthalazin-1-amine.

Molecular Properties

Compound Name4-quinolin-7-ylphthalazin-1-amine
PubChem CID81227899
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name4-quinolin-7-ylphthalazin-1-amine
SMILESNc1nnc(-c2ccc3cccnc3c2)c2ccccc12
InChIInChI=1S/C17H12N4/c18-17-14-6-2-1-5-13(14)16(20-21-17)12-8-7-11-4-3-9-19-15(11)10-12/h1-10H,(H2,18,21)
InChIKeyAIRPSXKAZYLCJA-UHFFFAOYSA-N
XLogP3.43
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(10-quinolin-7-ylanthracen-9-yl)quinoline
CID 167164576
4-quinolin-7-yl-2H-phthalazin-1-one
CID 106519755
1-chloro-4-quinolin-6-ylphthalazine
CID 81230738
7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline
CID 121287261
5-fluoro-4-quinolin-7-ylpyrimidin-2-amine
CID 81221984
4-(3-fluoro-4-methylphenyl)phthalazin-1-amine
CID 115502629
2-ethyl-5-methyl-6-quinolin-7-ylpyrimidin-4-amine
CID 81221433
2-chloro-5-quinolin-7-ylaniline
CID 81224358
2-methyl-4-quinolin-7-ylaniline
CID 81223886
3-methyl-4-quinolin-7-ylaniline
CID 81224279
5-fluoro-2-quinolin-7-ylaniline
CID 107626733
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline
CID 118582329

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-7-ylphthalazin-1-amine?
The IUPAC name of 4-quinolin-7-ylphthalazin-1-amine (CID 81227899) is 4-quinolin-7-ylphthalazin-1-amine.
What is the SMILES notation for 4-quinolin-7-ylphthalazin-1-amine?
The canonical SMILES for 4-quinolin-7-ylphthalazin-1-amine is Nc1nnc(-c2ccc3cccnc3c2)c2ccccc12.
What is the InChIKey of 4-quinolin-7-ylphthalazin-1-amine?
The InChIKey is AIRPSXKAZYLCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c18-17-14-6-2-1-5-13(14)16(20-21-17)12-8-7-11-4-3-9-19-15(11)10-12/h1-10H,(H2,18,21).
What are the key properties of 4-quinolin-7-ylphthalazin-1-amine?
4-quinolin-7-ylphthalazin-1-amine has a molecular weight of 272.31 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-7-ylphthalazin-1-amine is sourced from PubChem (CID 81227899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).