3-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine

C23H28N2O2 — CID 71461047

IUPAC3-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine
SMILESCCCN1CCC(COc2nc3cc(OC)ccc3c3ccccc23)CC1
InChIInChI=1S/C23H28N2O2/c1-3-12-25-13-10-17(11-14-25)16-27-23-21-7-5-4-6-19(21)20-9-8-18(26-2)15-22(20)24-23/h4-9,15,17H,3,10-14,16H2,1-2H3
InChIKeyNCORZKZYAVSVRZ-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.90
Rot. Bonds6

About 3-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine

3-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine (PubChem CID 71461047) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine.

Molecular Properties

Compound Name3-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine
PubChem CID71461047
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine
SMILESCCCN1CCC(COc2nc3cc(OC)ccc3c3ccccc23)CC1
InChIInChI=1S/C23H28N2O2/c1-3-12-25-13-10-17(11-14-25)16-27-23-21-7-5-4-6-19(21)20-9-8-18(26-2)15-22(20)24-23/h4-9,15,17H,3,10-14,16H2,1-2H3
InChIKeyNCORZKZYAVSVRZ-UHFFFAOYSA-N
XLogP4.90
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 3075610
9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
CID 3075611
Dimoxyline
CID 21878
2-(4-Methoxyphenyl)quinoline
CID 1481967
7-Benzyloxyquinoline
CID 3035604
6,7-Dimethoxy-3-pyridin-4-yl-quinoline
CID 10061448
6,7-Dimethoxy-3-(3-pyridinyl)quinoline
CID 10445611
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
5-(Piperidin-4-ylmethoxy)-9-propyl-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
CID 9881053
2-Methyl-5-[2-[4-[[3-(1-methylpiperidin-4-yl)phenyl]methyl]piperidin-1-yl]ethoxy]quinoline
CID 9957376
4-Methyl-6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-1,4-benzoxazin-3-one
CID 10114480
2-Methyl-5-[2-[4-[(3-piperidin-1-ylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline
CID 10127424

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine?
The IUPAC name of 3-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine (CID 71461047) is 3-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine.
What is the SMILES notation for 3-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine?
The canonical SMILES for 3-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine is CCCN1CCC(COc2nc3cc(OC)ccc3c3ccccc23)CC1.
What is the InChIKey of 3-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine?
The InChIKey is NCORZKZYAVSVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-12-25-13-10-17(11-14-25)16-27-23-21-7-5-4-6-19(21)20-9-8-18(26-2)15-22(20)24-23/h4-9,15,17H,3,10-14,16H2,1-2H3.
What are the key properties of 3-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine?
3-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine has a molecular weight of 364.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine is sourced from PubChem (CID 71461047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).