1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one

C23H22N2O2 — CID 155547851

IUPAC1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one
SMILESCc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1[nH]c(=O)c1c(C)cccc12
InChIInChI=1S/C23H22N2O2/c1-12-5-4-6-17-19(12)23(27)25-22-13(2)11-18(26)20(21(17)22)16-9-7-15(8-10-16)14(3)24/h4-11,14,26H,24H2,1-3H3,(H,25,27)/t14-/m1/s1
InChIKeyFINAVVFZSCLZQK-CQSZACIVSA-N
MW358.44 g/mol
LogP4.69
Rot. Bonds2

About 1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one

1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one (PubChem CID 155547851) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one.

Molecular Properties

Compound Name1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one
PubChem CID155547851
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one
SMILESCc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1[nH]c(=O)c1c(C)cccc12
InChIInChI=1S/C23H22N2O2/c1-12-5-4-6-17-19(12)23(27)25-22-13(2)11-18(26)20(21(17)22)16-9-7-15(8-10-16)14(3)24/h4-11,14,26H,24H2,1-3H3,(H,25,27)/t14-/m1/s1
InChIKeyFINAVVFZSCLZQK-CQSZACIVSA-N
XLogP4.69
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.69
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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Related Compounds

2-Naphthalenecarboxamide, N-[2-[2-(acetylamino)phenyl]ethyl]-1-hydroxy-
CID 21325
Sklb-C05
CID 137796972
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CID 67448836
(R)-9-(4-(1-Aminoethyl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one
CID 68229183
OTS514 hydrochloride
CID 92044487
5-[2-(Dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one
CID 166635773
2-(3-(8-Hydroxy-5-methyl-6-oxo-5,6-dihydrophenanthridin-3-yl)propanamido)benzoic acid
CID 42625382
(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-hydroxy-2,5-dimethylphenyl)propanamide
CID 127028436
(R)-1-(4-(1-Aminopropan-2-yl)phenyl)-2,7-dihydroxy-4-methylphenanthridin-6(5H)-one
CID 155512128
4-chloro-1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-5H-phenanthridin-6-one
CID 155513198
1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-methoxy-4-methyl-5H-phenanthridin-6-one
CID 155513898
1-[4-[(1R)-1-aminoethyl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one
CID 155514352

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one?
The IUPAC name of 1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one (CID 155547851) is 1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one.
What is the SMILES notation for 1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one?
The canonical SMILES for 1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one is Cc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1[nH]c(=O)c1c(C)cccc12.
What is the InChIKey of 1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one?
The InChIKey is FINAVVFZSCLZQK-CQSZACIVSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-12-5-4-6-17-19(12)23(27)25-22-13(2)11-18(26)20(21(17)22)16-9-7-15(8-10-16)14(3)24/h4-11,14,26H,24H2,1-3H3,(H,25,27)/t14-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one?
1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one has a molecular weight of 358.44 g/mol, XLogP of 4.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one is sourced from PubChem (CID 155547851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).