N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide

C18H16N4O — CID 97186271

IUPACN-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccc2ccccc2n1)c1ccc(N)cc1
InChIInChI=1S/C18H16N4O/c1-12(13-6-9-15(19)10-7-13)21-22-18(23)17-11-8-14-4-2-3-5-16(14)20-17/h2-11H,19H2,1H3,(H,22,23)/b21-12+
InChIKeyBSGBEQKGXAVMOA-CIAFOILYSA-N
MW304.35 g/mol
LogP2.97
Rot. Bonds3

About N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide

N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide (PubChem CID 97186271) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide
PubChem CID97186271
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccc2ccccc2n1)c1ccc(N)cc1
InChIInChI=1S/C18H16N4O/c1-12(13-6-9-15(19)10-7-13)21-22-18(23)17-11-8-14-4-2-3-5-16(14)20-17/h2-11H,19H2,1H3,(H,22,23)/b21-12+
InChIKeyBSGBEQKGXAVMOA-CIAFOILYSA-N
XLogP2.97
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide
CID 46803724
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-hydroxynaphthalene-1-carboxamide
CID 27511302
6-methyl-N-(1-naphthalen-2-ylethylideneamino)pyridine-2-carboxamide
CID 174219685
N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide
CID 29223067
N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 139078457
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
(2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate
CID 7789598
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127
2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide
CID 164702541
N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide
CID 82724716
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 11809403

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide?
The IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide (CID 97186271) is N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide?
The canonical SMILES for N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide is C/C(=N\NC(=O)c1ccc2ccccc2n1)c1ccc(N)cc1.
What is the InChIKey of N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide?
The InChIKey is BSGBEQKGXAVMOA-CIAFOILYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12(13-6-9-15(19)10-7-13)21-22-18(23)17-11-8-14-4-2-3-5-16(14)20-17/h2-11H,19H2,1H3,(H,22,23)/b21-12+.
What are the key properties of N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide?
N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide is sourced from PubChem (CID 97186271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).