1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-7-fluoro-2-hydroxy-4-methyl-5H-phenanthridin-6-one

C23H21FN2O2 — CID 155549086

IUPAC1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-7-fluoro-2-hydroxy-4-methyl-5H-phenanthridin-6-one
SMILESCc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1c(F)cccc12
InChIInChI=1S/C23H21FN2O2/c1-12-10-18(27)19(15-8-6-14(7-9-15)13(2)11-25)21-16-4-3-5-17(24)20(16)23(28)26-22(12)21/h3-10,13,27H,11,25H2,1-2H3,(H,26,28)/t13-/m0/s1
InChIKeyRSNXQLCFTDYTSU-ZDUSSCGKSA-N
MW376.43 g/mol
LogP4.56
Rot. Bonds3

About 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-7-fluoro-2-hydroxy-4-methyl-5H-phenanthridin-6-one

1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-7-fluoro-2-hydroxy-4-methyl-5H-phenanthridin-6-one (PubChem CID 155549086) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-7-fluoro-2-hydroxy-4-methyl-5H-phenanthridin-6-one.

Molecular Properties

Compound Name1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-7-fluoro-2-hydroxy-4-methyl-5H-phenanthridin-6-one
PubChem CID155549086
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-7-fluoro-2-hydroxy-4-methyl-5H-phenanthridin-6-one
SMILESCc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1c(F)cccc12
InChIInChI=1S/C23H21FN2O2/c1-12-10-18(27)19(15-8-6-14(7-9-15)13(2)11-25)21-16-4-3-5-17(24)20(16)23(28)26-22(12)21/h3-10,13,27H,11,25H2,1-2H3,(H,26,28)/t13-/m0/s1
InChIKeyRSNXQLCFTDYTSU-ZDUSSCGKSA-N
XLogP4.56
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.56
H-Bond Donors ≤ 53
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-aminopropan-2-yl]phenyl]-7-fluoro-2-hydroxy-4-methyl-5H-phenanthridin-6-one?
The IUPAC name of 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-7-fluoro-2-hydroxy-4-methyl-5H-phenanthridin-6-one (CID 155549086) is 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-7-fluoro-2-hydroxy-4-methyl-5H-phenanthridin-6-one.
What is the SMILES notation for 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-7-fluoro-2-hydroxy-4-methyl-5H-phenanthridin-6-one?
The canonical SMILES for 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-7-fluoro-2-hydroxy-4-methyl-5H-phenanthridin-6-one is Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1c(F)cccc12.
What is the InChIKey of 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-7-fluoro-2-hydroxy-4-methyl-5H-phenanthridin-6-one?
The InChIKey is RSNXQLCFTDYTSU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-12-10-18(27)19(15-8-6-14(7-9-15)13(2)11-25)21-16-4-3-5-17(24)20(16)23(28)26-22(12)21/h3-10,13,27H,11,25H2,1-2H3,(H,26,28)/t13-/m0/s1.
What are the key properties of 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-7-fluoro-2-hydroxy-4-methyl-5H-phenanthridin-6-one?
1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-7-fluoro-2-hydroxy-4-methyl-5H-phenanthridin-6-one has a molecular weight of 376.43 g/mol, XLogP of 4.56, 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]-7-fluoro-2-hydroxy-4-methyl-5H-phenanthridin-6-one is sourced from PubChem (CID 155549086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).