N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide

C21H16N4O — CID 177489963

IUPACN-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide
SMILESO=C(N/N=C/Cc1ccc2ccccc2n1)c1ccc2ccccc2n1
InChIInChI=1S/C21H16N4O/c26-21(20-12-10-16-6-2-4-8-19(16)24-20)25-22-14-13-17-11-9-15-5-1-3-7-18(15)23-17/h1-12,14H,13H2,(H,25,26)/b22-14+
InChIKeyZTBCWLWXFIRCMW-HYARGMPZSA-N
MW340.39 g/mol
LogP3.74
Rot. Bonds4

About N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide

N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide (PubChem CID 177489963) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide
PubChem CID177489963
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC NameN-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide
SMILESO=C(N/N=C/Cc1ccc2ccccc2n1)c1ccc2ccccc2n1
InChIInChI=1S/C21H16N4O/c26-21(20-12-10-16-6-2-4-8-19(16)24-20)25-22-14-13-17-11-9-15-5-1-3-7-18(15)23-17/h1-12,14H,13H2,(H,25,26)/b22-14+
InChIKeyZTBCWLWXFIRCMW-HYARGMPZSA-N
XLogP3.74
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.74
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-[(E)-pyridin-4-ylmethylideneamino]quinoline-2-carboxamide
CID 6906634
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide
CID 3710730
N-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide
CID 175113669
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]quinoline-2-carboxamide
CID 42994985
N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide
CID 9499718
1,2-di(quinolin-2-yl)ethanone
CID 24973307
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide
CID 2311190
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
(2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate
CID 7789598
N-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide
CID 1237546

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide?
The IUPAC name of N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide (CID 177489963) is N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide.
What is the SMILES notation for N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide?
The canonical SMILES for N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide is O=C(N/N=C/Cc1ccc2ccccc2n1)c1ccc2ccccc2n1.
What is the InChIKey of N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide?
The InChIKey is ZTBCWLWXFIRCMW-HYARGMPZSA-N. The full InChI is InChI=1S/C21H16N4O/c26-21(20-12-10-16-6-2-4-8-19(16)24-20)25-22-14-13-17-11-9-15-5-1-3-7-18(15)23-17/h1-12,14H,13H2,(H,25,26)/b22-14+.
What are the key properties of N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide?
N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide is sourced from PubChem (CID 177489963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).