2,8-dihydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydrobenzo[c]phenanthridin-6-one

C30H30N2O4 — CID 10928963

IUPAC2,8-dihydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydrobenzo[c]phenanthridin-6-one
SMILESO=c1c2cc(O)ccc2c2c(n1-c1ccc(OCCN3CCCCC3)cc1)-c1ccc(O)cc1CC2
InChIInChI=1S/C30H30N2O4/c33-22-7-12-25-20(18-22)4-11-27-26-13-8-23(34)19-28(26)30(35)32(29(25)27)21-5-9-24(10-6-21)36-17-16-31-14-2-1-3-15-31/h5-10,12-13,18-19,33-34H,1-4,11,14-17H2
InChIKeyWSROZOIOMLHLDF-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.03
Rot. Bonds5

About 2,8-dihydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydrobenzo[c]phenanthridin-6-one

2,8-dihydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydrobenzo[c]phenanthridin-6-one (PubChem CID 10928963) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2,8-dihydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydrobenzo[c]phenanthridin-6-one.

Molecular Properties

Compound Name2,8-dihydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydrobenzo[c]phenanthridin-6-one
PubChem CID10928963
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC Name2,8-dihydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydrobenzo[c]phenanthridin-6-one
SMILESO=c1c2cc(O)ccc2c2c(n1-c1ccc(OCCN3CCCCC3)cc1)-c1ccc(O)cc1CC2
InChIInChI=1S/C30H30N2O4/c33-22-7-12-25-20(18-22)4-11-27-26-13-8-23(34)19-28(26)30(35)32(29(25)27)21-5-9-24(10-6-21)36-17-16-31-14-2-1-3-15-31/h5-10,12-13,18-19,33-34H,1-4,11,14-17H2
InChIKeyWSROZOIOMLHLDF-UHFFFAOYSA-N
XLogP5.03
TPSA74.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,8-dihydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydrobenzo[c]phenanthridin-6-one?
The IUPAC name of 2,8-dihydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydrobenzo[c]phenanthridin-6-one (CID 10928963) is 2,8-dihydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydrobenzo[c]phenanthridin-6-one.
What is the SMILES notation for 2,8-dihydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydrobenzo[c]phenanthridin-6-one?
The canonical SMILES for 2,8-dihydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydrobenzo[c]phenanthridin-6-one is O=c1c2cc(O)ccc2c2c(n1-c1ccc(OCCN3CCCCC3)cc1)-c1ccc(O)cc1CC2.
What is the InChIKey of 2,8-dihydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydrobenzo[c]phenanthridin-6-one?
The InChIKey is WSROZOIOMLHLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4/c33-22-7-12-25-20(18-22)4-11-27-26-13-8-23(34)19-28(26)30(35)32(29(25)27)21-5-9-24(10-6-21)36-17-16-31-14-2-1-3-15-31/h5-10,12-13,18-19,33-34H,1-4,11,14-17H2.
What are the key properties of 2,8-dihydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydrobenzo[c]phenanthridin-6-one?
2,8-dihydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydrobenzo[c]phenanthridin-6-one has a molecular weight of 482.58 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dihydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydrobenzo[c]phenanthridin-6-one is sourced from PubChem (CID 10928963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).