1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one

C24H22N2O3 — CID 155548719

IUPAC1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one
SMILESCc1cc(O)c(-c2ccc(C3(CN)CC3)cc2)c2c1[nH]c(=O)c1c(O)cccc12
InChIInChI=1S/C24H22N2O3/c1-13-11-18(28)19(14-5-7-15(8-6-14)24(12-25)9-10-24)21-16-3-2-4-17(27)20(16)23(29)26-22(13)21/h2-8,11,27-28H,9-10,12,25H2,1H3,(H,26,29)
InChIKeyCHSUNMGWJYCGOA-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.06
Rot. Bonds3

About 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one

1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one (PubChem CID 155548719) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one.

Molecular Properties

Compound Name1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one
PubChem CID155548719
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one
SMILESCc1cc(O)c(-c2ccc(C3(CN)CC3)cc2)c2c1[nH]c(=O)c1c(O)cccc12
InChIInChI=1S/C24H22N2O3/c1-13-11-18(28)19(14-5-7-15(8-6-14)24(12-25)9-10-24)21-16-3-2-4-17(27)20(16)23(29)26-22(13)21/h2-8,11,27-28H,9-10,12,25H2,1H3,(H,26,29)
InChIKeyCHSUNMGWJYCGOA-UHFFFAOYSA-N
XLogP4.06
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one?
The IUPAC name of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one (CID 155548719) is 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one.
What is the SMILES notation for 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one?
The canonical SMILES for 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one is Cc1cc(O)c(-c2ccc(C3(CN)CC3)cc2)c2c1[nH]c(=O)c1c(O)cccc12.
What is the InChIKey of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one?
The InChIKey is CHSUNMGWJYCGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-13-11-18(28)19(14-5-7-15(8-6-14)24(12-25)9-10-24)21-16-3-2-4-17(27)20(16)23(29)26-22(13)21/h2-8,11,27-28H,9-10,12,25H2,1H3,(H,26,29).
What are the key properties of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one?
1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one has a molecular weight of 386.45 g/mol, XLogP of 4.06, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2,7-dihydroxy-4-methyl-5H-phenanthridin-6-one is sourced from PubChem (CID 155548719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).