N-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline

C29H30N4O — CID 54417947

IUPACN-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline
SMILESCCN(N=C(C)c1cc2cc(C=NN3CCCc4ccccc43)ccc2o1)c1ccc(C)cc1
InChIInChI=1S/C29H30N4O/c1-4-32(26-14-11-21(2)12-15-26)31-22(3)29-19-25-18-23(13-16-28(25)34-29)20-30-33-17-7-9-24-8-5-6-10-27(24)33/h5-6,8,10-16,18-20H,4,7,9,17H2,1-3H3
InChIKeyVYTMIOWBCUYGGQ-UHFFFAOYSA-N
MW450.59 g/mol
LogP6.78
Rot. Bonds6

About N-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline

N-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline (PubChem CID 54417947) has the molecular formula C29H30N4O and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline.

Molecular Properties

Compound NameN-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline
PubChem CID54417947
Molecular FormulaC29H30N4O
Molecular Weight450.59 g/mol
Exact Mass450.24
IUPAC NameN-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline
SMILESCCN(N=C(C)c1cc2cc(C=NN3CCCc4ccccc43)ccc2o1)c1ccc(C)cc1
InChIInChI=1S/C29H30N4O/c1-4-32(26-14-11-21(2)12-15-26)31-22(3)29-19-25-18-23(13-16-28(25)34-29)20-30-33-17-7-9-24-8-5-6-10-27(24)33/h5-6,8,10-16,18-20H,4,7,9,17H2,1-3H3
InChIKeyVYTMIOWBCUYGGQ-UHFFFAOYSA-N
XLogP6.78
TPSA44.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 N-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline?
The IUPAC name of N-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline (CID 54417947) is N-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline.
What is the SMILES notation for N-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline?
The canonical SMILES for N-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline is CCN(N=C(C)c1cc2cc(C=NN3CCCc4ccccc43)ccc2o1)c1ccc(C)cc1.
What is the InChIKey of N-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline?
The InChIKey is VYTMIOWBCUYGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O/c1-4-32(26-14-11-21(2)12-15-26)31-22(3)29-19-25-18-23(13-16-28(25)34-29)20-30-33-17-7-9-24-8-5-6-10-27(24)33/h5-6,8,10-16,18-20H,4,7,9,17H2,1-3H3.
What are the key properties of N-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline?
N-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline has a molecular weight of 450.59 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline is sourced from PubChem (CID 54417947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).