7-methoxy-8-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile

C30H32N4O6 — CID 5330445

IUPAC7-methoxy-8-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile
SMILESCOc1cc2cc3c(Nc4cc(OC)c(OC)c(OC)c4)c(C#N)cnc3cc2cc1OCCN1CCOCC1
InChIInChI=1S/C30H32N4O6/c1-35-25-13-19-11-23-24(12-20(19)14-26(25)40-10-7-34-5-8-39-9-6-34)32-18-21(17-31)29(23)33-22-15-27(36-2)30(38-4)28(16-22)37-3/h11-16,18H,5-10H2,1-4H3,(H,32,33)
InChIKeyIDFGFXNUUGBOLS-UHFFFAOYSA-N
MW544.61 g/mol
LogP4.75
Rot. Bonds10

About 7-methoxy-8-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile

7-methoxy-8-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile (PubChem CID 5330445) has the molecular formula C30H32N4O6 and a molecular weight of 544.61 g/mol. Its IUPAC name is 7-methoxy-8-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-8-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile
PubChem CID5330445
Molecular FormulaC30H32N4O6
Molecular Weight544.61 g/mol
Exact Mass544.23
IUPAC Name7-methoxy-8-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile
SMILESCOc1cc2cc3c(Nc4cc(OC)c(OC)c(OC)c4)c(C#N)cnc3cc2cc1OCCN1CCOCC1
InChIInChI=1S/C30H32N4O6/c1-35-25-13-19-11-23-24(12-20(19)14-26(25)40-10-7-34-5-8-39-9-6-34)32-18-21(17-31)29(23)33-22-15-27(36-2)30(38-4)28(16-22)37-3/h11-16,18H,5-10H2,1-4H3,(H,32,33)
InChIKeyIDFGFXNUUGBOLS-UHFFFAOYSA-N
XLogP4.75
TPSA107.33 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.61
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile?
The IUPAC name of 7-methoxy-8-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile (CID 5330445) is 7-methoxy-8-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile.
What is the SMILES notation for 7-methoxy-8-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile?
The canonical SMILES for 7-methoxy-8-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile is COc1cc2cc3c(Nc4cc(OC)c(OC)c(OC)c4)c(C#N)cnc3cc2cc1OCCN1CCOCC1.
What is the InChIKey of 7-methoxy-8-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile?
The InChIKey is IDFGFXNUUGBOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O6/c1-35-25-13-19-11-23-24(12-20(19)14-26(25)40-10-7-34-5-8-39-9-6-34)32-18-21(17-31)29(23)33-22-15-27(36-2)30(38-4)28(16-22)37-3/h11-16,18H,5-10H2,1-4H3,(H,32,33).
What are the key properties of 7-methoxy-8-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile?
7-methoxy-8-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile has a molecular weight of 544.61 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-8-(2-morpholin-4-ylethoxy)-4-(3,4,5-trimethoxyanilino)benzo[g]quinoline-3-carbonitrile is sourced from PubChem (CID 5330445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).