3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium

C29H31N2O2+ — CID 134983325

IUPAC3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium
SMILESCOc1ccc2nc(-c3ccc(OCCC[N+](C)(C)C)cc3)c3c(c2c1)-c1ccccc1C3
InChIInChI=1S/C29H31N2O2/c1-31(2,3)16-7-17-33-22-12-10-20(11-13-22)29-26-18-21-8-5-6-9-24(21)28(26)25-19-23(32-4)14-15-27(25)30-29/h5-6,8-15,19H,7,16-18H2,1-4H3/q+1
InChIKeyQIYSKAKULDAKME-UHFFFAOYSA-N
MW439.58 g/mol
LogP5.96
Rot. Bonds7

About 3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium

3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium (PubChem CID 134983325) has the molecular formula C29H31N2O2+ and a molecular weight of 439.58 g/mol. Its IUPAC name is 3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium.

Molecular Properties

Compound Name3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium
PubChem CID134983325
Molecular FormulaC29H31N2O2+
Molecular Weight439.58 g/mol
Exact Mass439.24
IUPAC Name3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium
SMILESCOc1ccc2nc(-c3ccc(OCCC[N+](C)(C)C)cc3)c3c(c2c1)-c1ccccc1C3
InChIInChI=1S/C29H31N2O2/c1-31(2,3)16-7-17-33-22-12-10-20(11-13-22)29-26-18-21-8-5-6-9-24(21)28(26)25-19-23(32-4)14-15-27(25)30-29/h5-6,8-15,19H,7,16-18H2,1-4H3/q+1
InChIKeyQIYSKAKULDAKME-UHFFFAOYSA-N
XLogP5.96
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium with MolForge

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Related Compounds

2-methyl-6-phenyl-7H-indeno[2,1-c]quinoline
CID 12624418
6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 56958029
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
3-methoxy-11H-indeno[1,2-b]quinolin-10-amine
CID 23644794
11-(4-octoxyphenyl)-6H-isochromeno[4,3-c]quinoline
CID 177413411
2-(4-methoxyphenoxy)ethyl-trimethylazanium
CID 3026734
4-ethyl-6-methoxy-2,3-diphenylquinoline
CID 22395291
5-(4-fluorophenyl)-7-methoxy-4H-benzo[b][1,7]naphthyridine-1,3-dione
CID 139827006
7-methoxy-1-phenylisoquinoline
CID 86087026
9-methoxy-2-methyl-6-phenylphenanthridine
CID 50902217
3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine
CID 57395808
2-[3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropyl]isoindole-1,3-dione
CID 68518411

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium?
The IUPAC name of 3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium (CID 134983325) is 3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium.
What is the SMILES notation for 3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium?
The canonical SMILES for 3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium is COc1ccc2nc(-c3ccc(OCCC[N+](C)(C)C)cc3)c3c(c2c1)-c1ccccc1C3.
What is the InChIKey of 3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium?
The InChIKey is QIYSKAKULDAKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N2O2/c1-31(2,3)16-7-17-33-22-12-10-20(11-13-22)29-26-18-21-8-5-6-9-24(21)28(26)25-19-23(32-4)14-15-27(25)30-29/h5-6,8-15,19H,7,16-18H2,1-4H3/q+1.
What are the key properties of 3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium?
3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium has a molecular weight of 439.58 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxy-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium is sourced from PubChem (CID 134983325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).