2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine

C32H34N2O3 — CID 10918038

IUPAC2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine
SMILESCOc1ccc2c(c1)CN(c1ccc(OCCN3CCCCC3)cc1)c1c-2ccc2cc(OC)ccc12
InChIInChI=1S/C32H34N2O3/c1-35-27-12-15-30-23(20-27)6-13-31-29-14-11-28(36-2)21-24(29)22-34(32(30)31)25-7-9-26(10-8-25)37-19-18-33-16-4-3-5-17-33/h6-15,20-21H,3-5,16-19,22H2,1-2H3
InChIKeyKOMVQXKUDXGFRJ-UHFFFAOYSA-N
MW494.64 g/mol
LogP7.04
Rot. Bonds7

About 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine

2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine (PubChem CID 10918038) has the molecular formula C32H34N2O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine.

Molecular Properties

Compound Name2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine
PubChem CID10918038
Molecular FormulaC32H34N2O3
Molecular Weight494.64 g/mol
Exact Mass494.26
IUPAC Name2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine
SMILESCOc1ccc2c(c1)CN(c1ccc(OCCN3CCCCC3)cc1)c1c-2ccc2cc(OC)ccc12
InChIInChI=1S/C32H34N2O3/c1-35-27-12-15-30-23(20-27)6-13-31-29-14-11-28(36-2)21-24(29)22-34(32(30)31)25-7-9-26(10-8-25)37-19-18-33-16-4-3-5-17-33/h6-15,20-21H,3-5,16-19,22H2,1-2H3
InChIKeyKOMVQXKUDXGFRJ-UHFFFAOYSA-N
XLogP7.04
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine?
The IUPAC name of 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine (CID 10918038) is 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine.
What is the SMILES notation for 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine?
The canonical SMILES for 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine is COc1ccc2c(c1)CN(c1ccc(OCCN3CCCCC3)cc1)c1c-2ccc2cc(OC)ccc12.
What is the InChIKey of 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine?
The InChIKey is KOMVQXKUDXGFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O3/c1-35-27-12-15-30-23(20-27)6-13-31-29-14-11-28(36-2)21-24(29)22-34(32(30)31)25-7-9-26(10-8-25)37-19-18-33-16-4-3-5-17-33/h6-15,20-21H,3-5,16-19,22H2,1-2H3.
What are the key properties of 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine?
2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine has a molecular weight of 494.64 g/mol, XLogP of 7.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine is sourced from PubChem (CID 10918038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).