4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol

C22H20N2O — CID 142445290

IUPAC4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol
SMILESCn1ccc2c3c4c(c(-c5ccc(O)cc5)nc3ccc21)CCCC4
InChIInChI=1S/C22H20N2O/c1-24-13-12-18-20(24)11-10-19-21(18)16-4-2-3-5-17(16)22(23-19)14-6-8-15(25)9-7-14/h6-13,25H,2-5H2,1H3
InChIKeyQFFJECWLUIHGGI-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.98
Rot. Bonds1

About 4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol

4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol (PubChem CID 142445290) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol.

Molecular Properties

Compound Name4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol
PubChem CID142445290
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol
SMILESCn1ccc2c3c4c(c(-c5ccc(O)cc5)nc3ccc21)CCCC4
InChIInChI=1S/C22H20N2O/c1-24-13-12-18-20(24)11-10-19-21(18)16-4-2-3-5-17(16)22(23-19)14-6-8-15(25)9-7-14/h6-13,25H,2-5H2,1H3
InChIKeyQFFJECWLUIHGGI-UHFFFAOYSA-N
XLogP4.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol 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-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol?
The IUPAC name of 4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol (CID 142445290) is 4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol.
What is the SMILES notation for 4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol?
The canonical SMILES for 4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol is Cn1ccc2c3c4c(c(-c5ccc(O)cc5)nc3ccc21)CCCC4.
What is the InChIKey of 4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol?
The InChIKey is QFFJECWLUIHGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-24-13-12-18-20(24)11-10-19-21(18)16-4-2-3-5-17(16)22(23-19)14-6-8-15(25)9-7-14/h6-13,25H,2-5H2,1H3.
What are the key properties of 4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol?
4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol has a molecular weight of 328.42 g/mol, XLogP of 4.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol is sourced from PubChem (CID 142445290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).