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

C24H22N2O2 — CID 155526840

IUPAC1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one
SMILESCc1cc(O)c(-c2ccc(C3(CN)CC3)cc2)c2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C24H22N2O2/c1-14-12-19(27)20(15-6-8-16(9-7-15)24(13-25)10-11-24)21-17-4-2-3-5-18(17)23(28)26-22(14)21/h2-9,12,27H,10-11,13,25H2,1H3,(H,26,28)
InChIKeyAIOQBMZRABXSCF-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.35
Rot. Bonds3

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

1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one (PubChem CID 155526840) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one.

Molecular Properties

Compound Name1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one
PubChem CID155526840
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one
SMILESCc1cc(O)c(-c2ccc(C3(CN)CC3)cc2)c2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C24H22N2O2/c1-14-12-19(27)20(15-6-8-16(9-7-15)24(13-25)10-11-24)21-17-4-2-3-5-18(17)23(28)26-22(14)21/h2-9,12,27H,10-11,13,25H2,1H3,(H,26,28)
InChIKeyAIOQBMZRABXSCF-UHFFFAOYSA-N
XLogP4.35
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.35
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one?
The IUPAC name of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one (CID 155526840) is 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one.
What is the SMILES notation for 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one?
The canonical SMILES for 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one is Cc1cc(O)c(-c2ccc(C3(CN)CC3)cc2)c2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one?
The InChIKey is AIOQBMZRABXSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-14-12-19(27)20(15-6-8-16(9-7-15)24(13-25)10-11-24)21-17-4-2-3-5-18(17)23(28)26-22(14)21/h2-9,12,27H,10-11,13,25H2,1H3,(H,26,28).
What are the key properties of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one?
1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one has a molecular weight of 370.45 g/mol, XLogP of 4.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one is sourced from PubChem (CID 155526840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).