3-phthalazin-6-yl-1,8-naphthyridine

C16H10N4 — CID 166653985

IUPAC3-phthalazin-6-yl-1,8-naphthyridine
SMILESc1cnc2ncc(-c3ccc4cnncc4c3)cc2c1
InChIInChI=1S/C16H10N4/c1-2-12-7-14(8-18-16(12)17-5-1)11-3-4-13-9-19-20-10-15(13)6-11/h1-10H
InChIKeyNPYLASWWRAYIHY-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.24
Rot. Bonds1

About 3-phthalazin-6-yl-1,8-naphthyridine

3-phthalazin-6-yl-1,8-naphthyridine (PubChem CID 166653985) has the molecular formula C16H10N4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-phthalazin-6-yl-1,8-naphthyridine.

Molecular Properties

Compound Name3-phthalazin-6-yl-1,8-naphthyridine
PubChem CID166653985
Molecular FormulaC16H10N4
Molecular Weight258.28 g/mol
Exact Mass258.09
IUPAC Name3-phthalazin-6-yl-1,8-naphthyridine
SMILESc1cnc2ncc(-c3ccc4cnncc4c3)cc2c1
InChIInChI=1S/C16H10N4/c1-2-12-7-14(8-18-16(12)17-5-1)11-3-4-13-9-19-20-10-15(13)6-11/h1-10H
InChIKeyNPYLASWWRAYIHY-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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Frequently Asked Questions

What is the IUPAC name of 3-phthalazin-6-yl-1,8-naphthyridine?
The IUPAC name of 3-phthalazin-6-yl-1,8-naphthyridine (CID 166653985) is 3-phthalazin-6-yl-1,8-naphthyridine.
What is the SMILES notation for 3-phthalazin-6-yl-1,8-naphthyridine?
The canonical SMILES for 3-phthalazin-6-yl-1,8-naphthyridine is c1cnc2ncc(-c3ccc4cnncc4c3)cc2c1.
What is the InChIKey of 3-phthalazin-6-yl-1,8-naphthyridine?
The InChIKey is NPYLASWWRAYIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4/c1-2-12-7-14(8-18-16(12)17-5-1)11-3-4-13-9-19-20-10-15(13)6-11/h1-10H.
What are the key properties of 3-phthalazin-6-yl-1,8-naphthyridine?
3-phthalazin-6-yl-1,8-naphthyridine 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 3-phthalazin-6-yl-1,8-naphthyridine is sourced from PubChem (CID 166653985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).