N-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine

C17H17N3S — CID 20851243

IUPACN-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine
SMILESC/C(=N\Nc1cccc2cccnc12)c1cc(C)sc1C
InChIInChI=1S/C17H17N3S/c1-11-10-15(13(3)21-11)12(2)19-20-16-8-4-6-14-7-5-9-18-17(14)16/h4-10,20H,1-3H3/b19-12+
InChIKeySOOWQEMYCDZODT-XDHOZWIPSA-N
MW295.41 g/mol
LogP4.75
Rot. Bonds3

About N-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine

N-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine (PubChem CID 20851243) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine.

Molecular Properties

Compound NameN-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine
PubChem CID20851243
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC NameN-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine
SMILESC/C(=N\Nc1cccc2cccnc12)c1cc(C)sc1C
InChIInChI=1S/C17H17N3S/c1-11-10-15(13(3)21-11)12(2)19-20-16-8-4-6-14-7-5-9-18-17(14)16/h4-10,20H,1-3H3/b19-12+
InChIKeySOOWQEMYCDZODT-XDHOZWIPSA-N
XLogP4.75
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.75
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-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine
CID 43103063
(1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide
CID 21065185
N-[(E)-[(2E)-2-(quinolin-8-ylhydrazinylidene)ethylidene]amino]quinolin-8-amine
CID 6870658
2-chloro-6-methyl-N-quinolin-8-ylthieno[2,3-d]pyrimidin-4-amine
CID 82065968
N-quinolin-8-ylhydroxylamine
CID 22011433
4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide
CID 62309061
5-methyl-N-quinolin-8-ylthiophene-3-carboxamide
CID 166451949
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide
CID 18149370
N-methoxyquinolin-8-amine
CID 143696561
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144759

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine?
The IUPAC name of N-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine (CID 20851243) is N-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine.
What is the SMILES notation for N-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine?
The canonical SMILES for N-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine is C/C(=N\Nc1cccc2cccnc12)c1cc(C)sc1C.
What is the InChIKey of N-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine?
The InChIKey is SOOWQEMYCDZODT-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H17N3S/c1-11-10-15(13(3)21-11)12(2)19-20-16-8-4-6-14-7-5-9-18-17(14)16/h4-10,20H,1-3H3/b19-12+.
What are the key properties of N-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine?
N-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine has a molecular weight of 295.41 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine is sourced from PubChem (CID 20851243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).