1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-methoxy-4-methyl-5H-phenanthridin-6-one

C25H24N2O2 — CID 155513898

IUPAC1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-methoxy-4-methyl-5H-phenanthridin-6-one
SMILESCOc1cc(C)c2[nH]c(=O)c3ccccc3c2c1-c1ccc(C2(CN)CC2)cc1
InChIInChI=1S/C25H24N2O2/c1-15-13-20(29-2)21(16-7-9-17(10-8-16)25(14-26)11-12-25)22-18-5-3-4-6-19(18)24(28)27-23(15)22/h3-10,13H,11-12,14,26H2,1-2H3,(H,27,28)
InChIKeyCJWCYEUAMHZNHR-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.66
Rot. Bonds4

About 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-methoxy-4-methyl-5H-phenanthridin-6-one

1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-methoxy-4-methyl-5H-phenanthridin-6-one (PubChem CID 155513898) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-methoxy-4-methyl-5H-phenanthridin-6-one.

Molecular Properties

Compound Name1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-methoxy-4-methyl-5H-phenanthridin-6-one
PubChem CID155513898
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-methoxy-4-methyl-5H-phenanthridin-6-one
SMILESCOc1cc(C)c2[nH]c(=O)c3ccccc3c2c1-c1ccc(C2(CN)CC2)cc1
InChIInChI=1S/C25H24N2O2/c1-15-13-20(29-2)21(16-7-9-17(10-8-16)25(14-26)11-12-25)22-18-5-3-4-6-19(18)24(28)27-23(15)22/h3-10,13H,11-12,14,26H2,1-2H3,(H,27,28)
InChIKeyCJWCYEUAMHZNHR-UHFFFAOYSA-N
XLogP4.66
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.66
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

Sklb-C05
CID 137796972
(3-methoxyphenyl)(2,2,4,7-tetramethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)methanone
CID 3496642
4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
CID 10066616
4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 10066617
4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide
CID 18687390
4-ethyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
CID 18687408
N-cyclopropyl-3-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 44578499
5-[2-(Dimethylamino)ethyl]-8-methoxybenzo[c]phenanthridin-6-one
CID 166635627
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-methoxyphenyl)benzamide
CID 1360138
2-((2-benzyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy)-N-(2,5-dimethylphenyl)acetamide
CID 2152011
N-[4-[(4aR)-8-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl]butyl]naphthalene-2-carboxamide
CID 11166673
N-[4-[(4aS)-8-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl]butyl]naphthalene-2-carboxamide
CID 11201601

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-methoxy-4-methyl-5H-phenanthridin-6-one?
The IUPAC name of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-methoxy-4-methyl-5H-phenanthridin-6-one (CID 155513898) is 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-methoxy-4-methyl-5H-phenanthridin-6-one.
What is the SMILES notation for 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-methoxy-4-methyl-5H-phenanthridin-6-one?
The canonical SMILES for 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-methoxy-4-methyl-5H-phenanthridin-6-one is COc1cc(C)c2[nH]c(=O)c3ccccc3c2c1-c1ccc(C2(CN)CC2)cc1.
What is the InChIKey of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-methoxy-4-methyl-5H-phenanthridin-6-one?
The InChIKey is CJWCYEUAMHZNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-15-13-20(29-2)21(16-7-9-17(10-8-16)25(14-26)11-12-25)22-18-5-3-4-6-19(18)24(28)27-23(15)22/h3-10,13H,11-12,14,26H2,1-2H3,(H,27,28).
What are the key properties of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-methoxy-4-methyl-5H-phenanthridin-6-one?
1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-methoxy-4-methyl-5H-phenanthridin-6-one has a molecular weight of 384.48 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-methoxy-4-methyl-5H-phenanthridin-6-one is sourced from PubChem (CID 155513898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).