1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one

C22H19ClN2O2 — CID 155559881

IUPAC1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one
SMILESC[C@@H](CN)c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4ccccc4c23)cc1
InChIInChI=1S/C22H19ClN2O2/c1-12(11-24)13-6-8-14(9-7-13)19-18(26)10-17(23)21-20(19)15-4-2-3-5-16(15)22(27)25-21/h2-10,12,26H,11,24H2,1H3,(H,25,27)/t12-/m0/s1
InChIKeyUIJGVIBPEJDERU-LBPRGKRZSA-N
MW378.86 g/mol
LogP4.77
Rot. Bonds3

About 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one

1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one (PubChem CID 155559881) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one.

Molecular Properties

Compound Name1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one
PubChem CID155559881
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one
SMILESC[C@@H](CN)c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4ccccc4c23)cc1
InChIInChI=1S/C22H19ClN2O2/c1-12(11-24)13-6-8-14(9-7-13)19-18(26)10-17(23)21-20(19)15-4-2-3-5-16(15)22(27)25-21/h2-10,12,26H,11,24H2,1H3,(H,25,27)/t12-/m0/s1
InChIKeyUIJGVIBPEJDERU-LBPRGKRZSA-N
XLogP4.77
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-4-chloro-2-hydroxy-5H-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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one?
The IUPAC name of 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one (CID 155559881) is 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one.
What is the SMILES notation for 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one?
The canonical SMILES for 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one is C[C@@H](CN)c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4ccccc4c23)cc1.
What is the InChIKey of 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one?
The InChIKey is UIJGVIBPEJDERU-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-12(11-24)13-6-8-14(9-7-13)19-18(26)10-17(23)21-20(19)15-4-2-3-5-16(15)22(27)25-21/h2-10,12,26H,11,24H2,1H3,(H,25,27)/t12-/m0/s1.
What are the key properties of 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one?
1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one has a molecular weight of 378.86 g/mol, XLogP of 4.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one is sourced from PubChem (CID 155559881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).