(1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide

C13H10N4O — CID 21065185

IUPAC(1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide
SMILESCC(=O)/C(C#N)=N\Nc1cccc2cccnc12
InChIInChI=1S/C13H10N4O/c1-9(18)12(8-14)17-16-11-6-2-4-10-5-3-7-15-13(10)11/h2-7,16H,1H3/b17-12-
InChIKeySZYBQKQITBMVEE-ATVHPVEESA-N
MW238.25 g/mol
LogP2.12
Rot. Bonds3

About (1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide

(1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide (PubChem CID 21065185) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is (1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide
PubChem CID21065185
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name(1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide
SMILESCC(=O)/C(C#N)=N\Nc1cccc2cccnc12
InChIInChI=1S/C13H10N4O/c1-9(18)12(8-14)17-16-11-6-2-4-10-5-3-7-15-13(10)11/h2-7,16H,1H3/b17-12-
InChIKeySZYBQKQITBMVEE-ATVHPVEESA-N
XLogP2.12
TPSA78.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'cyano_imine_A(37)', '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

(Z)-N-(4-acetamidophenyl)-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
CID 108818817
N-[(E)-[(2E)-2-(quinolin-8-ylhydrazinylidene)ethylidene]amino]quinolin-8-amine
CID 6870658
(Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
CID 108837898
N-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine
CID 20851243
N-quinolin-8-ylhydroxylamine
CID 22011433
N-(4-methylanilino)-2-oxopropanimidoyl cyanide
CID 563292
1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109050221
(Z)-2-methylimino-N-quinolin-8-ylpent-3-enamide
CID 177001639
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
N-methoxyquinolin-8-amine
CID 143696561
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide?
The IUPAC name of (1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide (CID 21065185) is (1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide?
The canonical SMILES for (1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide is CC(=O)/C(C#N)=N\Nc1cccc2cccnc12.
What is the InChIKey of (1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide?
The InChIKey is SZYBQKQITBMVEE-ATVHPVEESA-N. The full InChI is InChI=1S/C13H10N4O/c1-9(18)12(8-14)17-16-11-6-2-4-10-5-3-7-15-13(10)11/h2-7,16H,1H3/b17-12-.
What are the key properties of (1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide?
(1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide has a molecular weight of 238.25 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide is sourced from PubChem (CID 21065185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).