1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,8-dimethyl-5H-phenanthridin-6-one

C24H24N2O2 — CID 155568417

IUPAC1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,8-dimethyl-5H-phenanthridin-6-one
SMILESCc1ccc2c(c1)c(=O)[nH]c1c(C)cc(O)c(-c3ccc([C@@H](C)CN)cc3)c12
InChIInChI=1S/C24H24N2O2/c1-13-4-9-18-19(10-13)24(28)26-23-14(2)11-20(27)21(22(18)23)17-7-5-16(6-8-17)15(3)12-25/h4-11,15,27H,12,25H2,1-3H3,(H,26,28)/t15-/m0/s1
InChIKeyPGWJMVXANDVSAJ-HNNXBMFYSA-N
MW372.47 g/mol
LogP4.73
Rot. Bonds3

About 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,8-dimethyl-5H-phenanthridin-6-one

1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,8-dimethyl-5H-phenanthridin-6-one (PubChem CID 155568417) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,8-dimethyl-5H-phenanthridin-6-one.

Molecular Properties

Compound Name1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,8-dimethyl-5H-phenanthridin-6-one
PubChem CID155568417
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,8-dimethyl-5H-phenanthridin-6-one
SMILESCc1ccc2c(c1)c(=O)[nH]c1c(C)cc(O)c(-c3ccc([C@@H](C)CN)cc3)c12
InChIInChI=1S/C24H24N2O2/c1-13-4-9-18-19(10-13)24(28)26-23-14(2)11-20(27)21(22(18)23)17-7-5-16(6-8-17)15(3)12-25/h4-11,15,27H,12,25H2,1-3H3,(H,26,28)/t15-/m0/s1
InChIKeyPGWJMVXANDVSAJ-HNNXBMFYSA-N
XLogP4.73
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.73
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

4-butyl-N-(7-hydroxynaphthalen-1-yl)benzamide
CID 44450356
2-Naphthalenecarboxamide, N-[2-[2-(acetylamino)phenyl]ethyl]-1-hydroxy-
CID 21325
Sklb-C05
CID 137796972
(R)-9-(4-(1-aminopropan-2-yl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one
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
N-(4-hydroxy-3,5-diisopropylphenyl)-4-methylbenzamide
CID 693427
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-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,8-dimethyl-5H-phenanthridin-6-one?
The IUPAC name of 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,8-dimethyl-5H-phenanthridin-6-one (CID 155568417) is 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,8-dimethyl-5H-phenanthridin-6-one.
What is the SMILES notation for 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,8-dimethyl-5H-phenanthridin-6-one?
The canonical SMILES for 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,8-dimethyl-5H-phenanthridin-6-one is Cc1ccc2c(c1)c(=O)[nH]c1c(C)cc(O)c(-c3ccc([C@@H](C)CN)cc3)c12.
What is the InChIKey of 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,8-dimethyl-5H-phenanthridin-6-one?
The InChIKey is PGWJMVXANDVSAJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-13-4-9-18-19(10-13)24(28)26-23-14(2)11-20(27)21(22(18)23)17-7-5-16(6-8-17)15(3)12-25/h4-11,15,27H,12,25H2,1-3H3,(H,26,28)/t15-/m0/s1.
What are the key properties of 1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,8-dimethyl-5H-phenanthridin-6-one?
1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,8-dimethyl-5H-phenanthridin-6-one has a molecular weight of 372.47 g/mol, XLogP of 4.73, 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]-2-hydroxy-4,8-dimethyl-5H-phenanthridin-6-one is sourced from PubChem (CID 155568417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).