1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one

C26H28N2O2 — CID 155533905

IUPAC1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one
SMILESCc1ccc2c(=O)[nH]c3c(C)cc(O)c(-c4ccc([C@@H](C)CN(C)C)cc4)c3c2c1
InChIInChI=1S/C26H28N2O2/c1-15-6-11-20-21(12-15)24-23(22(29)13-16(2)25(24)27-26(20)30)19-9-7-18(8-10-19)17(3)14-28(4)5/h6-13,17,29H,14H2,1-5H3,(H,27,30)/t17-/m0/s1
InChIKeyPHLPGFBSCXNSGU-KRWDZBQOSA-N
MW400.52 g/mol
LogP5.34
Rot. Bonds4

About 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one

1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one (PubChem CID 155533905) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one.

Molecular Properties

Compound Name1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one
PubChem CID155533905
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one
SMILESCc1ccc2c(=O)[nH]c3c(C)cc(O)c(-c4ccc([C@@H](C)CN(C)C)cc4)c3c2c1
InChIInChI=1S/C26H28N2O2/c1-15-6-11-20-21(12-15)24-23(22(29)13-16(2)25(24)27-26(20)30)19-9-7-18(8-10-19)17(3)14-28(4)5/h6-13,17,29H,14H2,1-5H3,(H,27,30)/t17-/m0/s1
InChIKeyPHLPGFBSCXNSGU-KRWDZBQOSA-N
XLogP5.34
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one?
The IUPAC name of 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one (CID 155533905) is 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one.
What is the SMILES notation for 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one?
The canonical SMILES for 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one is Cc1ccc2c(=O)[nH]c3c(C)cc(O)c(-c4ccc([C@@H](C)CN(C)C)cc4)c3c2c1.
What is the InChIKey of 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one?
The InChIKey is PHLPGFBSCXNSGU-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-15-6-11-20-21(12-15)24-23(22(29)13-16(2)25(24)27-26(20)30)19-9-7-18(8-10-19)17(3)14-28(4)5/h6-13,17,29H,14H2,1-5H3,(H,27,30)/t17-/m0/s1.
What are the key properties of 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one?
1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one has a molecular weight of 400.52 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one is sourced from PubChem (CID 155533905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).