5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one

C22H17NO3 — CID 58388742

IUPAC5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one
SMILESO=C(CO)c1ccc(Cn2c(=O)c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C22H17NO3/c24-14-21(25)16-11-9-15(10-12-16)13-23-20-8-4-3-6-18(20)17-5-1-2-7-19(17)22(23)26/h1-12,24H,13-14H2
InChIKeyRWOLGWNBQUJKKU-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.38
Rot. Bonds4

About 5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one

5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one (PubChem CID 58388742) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one.

Molecular Properties

Compound Name5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one
PubChem CID58388742
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one
SMILESO=C(CO)c1ccc(Cn2c(=O)c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C22H17NO3/c24-14-21(25)16-11-9-15(10-12-16)13-23-20-8-4-3-6-18(20)17-5-1-2-7-19(17)22(23)26/h1-12,24H,13-14H2
InChIKeyRWOLGWNBQUJKKU-UHFFFAOYSA-N
XLogP3.38
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione
CID 163554761
5-benzyl-8-chlorophenanthridin-6-one
CID 71506154
5-(benzo[a]anthracen-3-ylmethyl)phenanthridin-6-one
CID 158793654
5-(carbazol-9-ylmethyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 158844978
5-(4-bromobutyl)phenanthridin-6-one
CID 19382417
3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
CID 163854867
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 54726736
1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
CID 53370489
3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
CID 163775470
4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 138377601
1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 1040501

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one?
The IUPAC name of 5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one (CID 58388742) is 5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one.
What is the SMILES notation for 5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one?
The canonical SMILES for 5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one is O=C(CO)c1ccc(Cn2c(=O)c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one?
The InChIKey is RWOLGWNBQUJKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c24-14-21(25)16-11-9-15(10-12-16)13-23-20-8-4-3-6-18(20)17-5-1-2-7-19(17)22(23)26/h1-12,24H,13-14H2.
What are the key properties of 5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one?
5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one has a molecular weight of 343.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one is sourced from PubChem (CID 58388742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).