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

C23H22N2O3 — CID 155512128

IUPAC1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one
SMILESCc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1c(O)cccc12
InChIInChI=1S/C23H22N2O3/c1-12-10-18(27)19(15-8-6-14(7-9-15)13(2)11-24)21-16-4-3-5-17(26)20(16)23(28)25-22(12)21/h3-10,13,26-27H,11,24H2,1-2H3,(H,25,28)/t13-/m0/s1
InChIKeyXRVJKVPGFCGDFZ-ZDUSSCGKSA-N
MW374.44 g/mol
LogP4.13
Rot. Bonds3

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

1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one (PubChem CID 155512128) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one.

Molecular Properties

Compound Name1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one
PubChem CID155512128
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one
SMILESCc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1c(O)cccc12
InChIInChI=1S/C23H22N2O3/c1-12-10-18(27)19(15-8-6-14(7-9-15)13(2)11-24)21-16-4-3-5-17(26)20(16)23(28)25-22(12)21/h3-10,13,26-27H,11,24H2,1-2H3,(H,25,28)/t13-/m0/s1
InChIKeyXRVJKVPGFCGDFZ-ZDUSSCGKSA-N
XLogP4.13
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2,7-dihydroxy-4-methyl-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

Related Compounds

2-Naphthalenecarboxamide, N-[2-[2-(acetylamino)phenyl]ethyl]-1-hydroxy-
CID 21325
Sklb-C05
CID 137796972
1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-4-chloro-2,7-dihydroxy-5H-phenanthridin-6-one
CID 155513486
1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one
CID 155515882
1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one
CID 155517160
1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one
CID 155522075
1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one
CID 155523141
1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one
CID 155523265
1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one
CID 155524573
1-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one
CID 155524581
1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one
CID 155526766
1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one
CID 155526840

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one?
The IUPAC name of 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one (CID 155512128) is 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one.
What is the SMILES notation for 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one?
The canonical SMILES for 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one is Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1c(O)cccc12.
What is the InChIKey of 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one?
The InChIKey is XRVJKVPGFCGDFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-12-10-18(27)19(15-8-6-14(7-9-15)13(2)11-24)21-16-4-3-5-17(26)20(16)23(28)25-22(12)21/h3-10,13,26-27H,11,24H2,1-2H3,(H,25,28)/t13-/m0/s1.
What are the key properties of 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one?
1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one has a molecular weight of 374.44 g/mol, XLogP of 4.13, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one is sourced from PubChem (CID 155512128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).