N-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide

C26H21N3O2 — CID 5179044

IUPACN-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NN=CC=Cc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C26H21N3O2/c1-31-21-13-7-12-20(17-21)25-18-23(22-14-5-6-15-24(22)28-25)26(30)29-27-16-8-11-19-9-3-2-4-10-19/h2-18H,1H3,(H,29,30)
InChIKeyVTLTVGHFCVBANH-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.34
Rot. Bonds6

About N-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide

N-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 5179044) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide
PubChem CID5179044
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC NameN-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NN=CC=Cc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C26H21N3O2/c1-31-21-13-7-12-20(17-21)25-18-23(22-14-5-6-15-24(22)28-25)26(30)29-27-16-8-11-19-9-3-2-4-10-19/h2-18H,1H3,(H,29,30)
InChIKeyVTLTVGHFCVBANH-UHFFFAOYSA-N
XLogP5.34
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504168
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 18275081
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126053693
2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237207
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
2-(3-methoxyphenyl)-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 4673574
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 5431086
N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2348277
N-[(E)-(3-phenoxyphenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 6901687
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 6873433

Frequently Asked Questions

What is the IUPAC name of N-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide (CID 5179044) is N-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)NN=CC=Cc3ccccc3)c3ccccc3n2)c1.
What is the InChIKey of N-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is VTLTVGHFCVBANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-31-21-13-7-12-20(17-21)25-18-23(22-14-5-6-15-24(22)28-25)26(30)29-27-16-8-11-19-9-3-2-4-10-19/h2-18H,1H3,(H,29,30).
What are the key properties of N-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
N-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5179044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).