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

C25H26N2O2 — CID 155524573

IUPAC1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one
SMILESCc1ccc2c(=O)[nH]c3c(C)cc(O)c(-c4ccc([C@@H](C)N(C)C)cc4)c3c2c1
InChIInChI=1S/C25H26N2O2/c1-14-6-11-19-20(12-14)23-22(21(28)13-15(2)24(23)26-25(19)29)18-9-7-17(8-10-18)16(3)27(4)5/h6-13,16,28H,1-5H3,(H,26,29)/t16-/m1/s1
InChIKeyGKRJEKYPYKMFPJ-MRXNPFEDSA-N
MW386.50 g/mol
LogP5.29
Rot. Bonds3

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

1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one (PubChem CID 155524573) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one.

Molecular Properties

Compound Name1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one
PubChem CID155524573
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one
SMILESCc1ccc2c(=O)[nH]c3c(C)cc(O)c(-c4ccc([C@@H](C)N(C)C)cc4)c3c2c1
InChIInChI=1S/C25H26N2O2/c1-14-6-11-19-20(12-14)23-22(21(28)13-15(2)24(23)26-25(19)29)18-9-7-17(8-10-18)16(3)27(4)5/h6-13,16,28H,1-5H3,(H,26,29)/t16-/m1/s1
InChIKeyGKRJEKYPYKMFPJ-MRXNPFEDSA-N
XLogP5.29
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.29
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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Related Compounds

Ots964
CID 67448186
3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-ethyl-N-phenyl-benzamide
CID 11113643
3-[(S)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-methyl-N-phenyl-benzamide
CID 22866888
Sklb-C05
CID 137796972
3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-methyl-N-phenyl-benzamide
CID 10322458
5-[2-(Dimethylamino)ethyl]-8-hydroxybenzo[c]phenanthridin-6-one
CID 166635773
2-(4-Hydroxyphenyl)-6-(1-piperidinyl)-1H-benzo[DE]isoquinoline-1,3(2H)-dione
CID 1361490
{3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-phenyl}-(3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 11081556
2-(3-(8-Hydroxy-5-methyl-6-oxo-5,6-dihydrophenanthridin-3-yl)propanamido)benzoic acid
CID 42625382
(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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one?
The IUPAC name of 1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one (CID 155524573) is 1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one.
What is the SMILES notation for 1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one?
The canonical SMILES for 1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one is Cc1ccc2c(=O)[nH]c3c(C)cc(O)c(-c4ccc([C@@H](C)N(C)C)cc4)c3c2c1.
What is the InChIKey of 1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one?
The InChIKey is GKRJEKYPYKMFPJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-14-6-11-19-20(12-14)23-22(21(28)13-15(2)24(23)26-25(19)29)18-9-7-17(8-10-18)16(3)27(4)5/h6-13,16,28H,1-5H3,(H,26,29)/t16-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one?
1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one has a molecular weight of 386.50 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one is sourced from PubChem (CID 155524573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).