4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one

C17H14N2O — CID 15190690

IUPAC4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one
SMILESO=c1[nH]nc(-c2ccccc2)c2cc3c(cc12)CCC3
InChIInChI=1S/C17H14N2O/c20-17-15-10-13-8-4-7-12(13)9-14(15)16(18-19-17)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,19,20)
InChIKeyWPJBVGKNWPVLOV-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.08
Rot. Bonds1

About 4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one

4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one (PubChem CID 15190690) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one.

Molecular Properties

Compound Name4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one
PubChem CID15190690
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one
SMILESO=c1[nH]nc(-c2ccccc2)c2cc3c(cc12)CCC3
InChIInChI=1S/C17H14N2O/c20-17-15-10-13-8-4-7-12(13)9-14(15)16(18-19-17)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,19,20)
InChIKeyWPJBVGKNWPVLOV-UHFFFAOYSA-N
XLogP3.08
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one?
The IUPAC name of 4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one (CID 15190690) is 4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one.
What is the SMILES notation for 4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one?
The canonical SMILES for 4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one is O=c1[nH]nc(-c2ccccc2)c2cc3c(cc12)CCC3.
What is the InChIKey of 4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one?
The InChIKey is WPJBVGKNWPVLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17-15-10-13-8-4-7-12(13)9-14(15)16(18-19-17)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,19,20).
What are the key properties of 4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one?
4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one has a molecular weight of 262.31 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one is sourced from PubChem (CID 15190690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).