(4-phenylphthalazin-1-yl)-thiophen-2-ylmethanone

C19H12N2OS — CID 11141626

IUPAC(4-phenylphthalazin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H12N2OS/c22-19(16-11-6-12-23-16)18-15-10-5-4-9-14(15)17(20-21-18)13-7-2-1-3-8-13/h1-12H
InChIKeySSNMXUWAIAZIFI-UHFFFAOYSA-N
MW316.39 g/mol
LogP4.59
Rot. Bonds3

About (4-phenylphthalazin-1-yl)-thiophen-2-ylmethanone

(4-phenylphthalazin-1-yl)-thiophen-2-ylmethanone (PubChem CID 11141626) has the molecular formula C19H12N2OS and a molecular weight of 316.39 g/mol. Its IUPAC name is (4-phenylphthalazin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-phenylphthalazin-1-yl)-thiophen-2-ylmethanone
PubChem CID11141626
Molecular FormulaC19H12N2OS
Molecular Weight316.39 g/mol
Exact Mass316.07
IUPAC Name(4-phenylphthalazin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H12N2OS/c22-19(16-11-6-12-23-16)18-15-10-5-4-9-14(15)17(20-21-18)13-7-2-1-3-8-13/h1-12H
InChIKeySSNMXUWAIAZIFI-UHFFFAOYSA-N
XLogP4.59
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-phenylphthalazin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-phenylphthalazin-1-yl)-thiophen-2-ylmethanone (CID 11141626) is (4-phenylphthalazin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-phenylphthalazin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-phenylphthalazin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)c1nnc(-c2ccccc2)c2ccccc12.
What is the InChIKey of (4-phenylphthalazin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is SSNMXUWAIAZIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2OS/c22-19(16-11-6-12-23-16)18-15-10-5-4-9-14(15)17(20-21-18)13-7-2-1-3-8-13/h1-12H.
What are the key properties of (4-phenylphthalazin-1-yl)-thiophen-2-ylmethanone?
(4-phenylphthalazin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 316.39 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphthalazin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 11141626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).