3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine

C30H31N3O4 — CID 57395808

IUPAC3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine
SMILESCOc1ccc(-c2nc3ccc(OC)cc3c3c2-c2ccc(OC)cc2/C3=N\OCCCN(C)C)cc1
InChIInChI=1S/C30H31N3O4/c1-33(2)15-6-16-37-32-30-24-17-21(35-4)11-13-23(24)27-28(30)25-18-22(36-5)12-14-26(25)31-29(27)19-7-9-20(34-3)10-8-19/h7-14,17-18H,6,15-16H2,1-5H3/b32-30+
InChIKeyMMEGXUNNIUTMAS-NHQGMKOOSA-N
MW497.60 g/mol
LogP5.63
Rot. Bonds9

About 3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine

3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine (PubChem CID 57395808) has the molecular formula C30H31N3O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is 3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine
PubChem CID57395808
Molecular FormulaC30H31N3O4
Molecular Weight497.60 g/mol
Exact Mass497.23
IUPAC Name3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine
SMILESCOc1ccc(-c2nc3ccc(OC)cc3c3c2-c2ccc(OC)cc2/C3=N\OCCCN(C)C)cc1
InChIInChI=1S/C30H31N3O4/c1-33(2)15-6-16-37-32-30-24-17-21(35-4)11-13-23(24)27-28(30)25-18-22(36-5)12-14-26(25)31-29(27)19-7-9-20(34-3)10-8-19/h7-14,17-18H,6,15-16H2,1-5H3/b32-30+
InChIKeyMMEGXUNNIUTMAS-NHQGMKOOSA-N
XLogP5.63
TPSA65.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine (CID 57395808) is 3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine is COc1ccc(-c2nc3ccc(OC)cc3c3c2-c2ccc(OC)cc2/C3=N\OCCCN(C)C)cc1.
What is the InChIKey of 3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is MMEGXUNNIUTMAS-NHQGMKOOSA-N. The full InChI is InChI=1S/C30H31N3O4/c1-33(2)15-6-16-37-32-30-24-17-21(35-4)11-13-23(24)27-28(30)25-18-22(36-5)12-14-26(25)31-29(27)19-7-9-20(34-3)10-8-19/h7-14,17-18H,6,15-16H2,1-5H3/b32-30+.
What are the key properties of 3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine?
3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 497.60 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 57395808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).