4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine

C16H15N3S — CID 31522342

IUPAC4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine
SMILESC/C(=N/Nc1cc(C)c2ccccc2n1)c1cccs1
InChIInChI=1S/C16H15N3S/c1-11-10-16(17-14-7-4-3-6-13(11)14)19-18-12(2)15-8-5-9-20-15/h3-10H,1-2H3,(H,17,19)/b18-12-
InChIKeyCMYGJKDPVNXUIO-PDGQHHTCSA-N
MW281.38 g/mol
LogP4.44
Rot. Bonds3

About 4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine

4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine (PubChem CID 31522342) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine
PubChem CID31522342
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine
SMILESC/C(=N/Nc1cc(C)c2ccccc2n1)c1cccs1
InChIInChI=1S/C16H15N3S/c1-11-10-16(17-14-7-4-3-6-13(11)14)19-18-12(2)15-8-5-9-20-15/h3-10H,1-2H3,(H,17,19)/b18-12-
InChIKeyCMYGJKDPVNXUIO-PDGQHHTCSA-N
XLogP4.44
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.44
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

4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine
CID 15352710
2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one
CID 4863812
2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline
CID 3463162
4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135758857
4-methyl-N-phenylquinolin-2-amine
CID 616278
3-(3-propan-2-yloxypropyl)-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]quinazolin-4-one
CID 8984080
1-[4-methyl-2-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone
CID 73347942
4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine
CID 6264891
4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine
CID 2852047
3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline
CID 86752186
2-ethyl-N-[(E)-1-thiophen-2-ylethylideneamino]aniline
CID 7340543
oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
CID 24846810

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine?
The IUPAC name of 4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine (CID 31522342) is 4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine.
What is the SMILES notation for 4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine?
The canonical SMILES for 4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine is C/C(=N/Nc1cc(C)c2ccccc2n1)c1cccs1.
What is the InChIKey of 4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine?
The InChIKey is CMYGJKDPVNXUIO-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-10-16(17-14-7-4-3-6-13(11)14)19-18-12(2)15-8-5-9-20-15/h3-10H,1-2H3,(H,17,19)/b18-12-.
What are the key properties of 4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine?
4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine has a molecular weight of 281.38 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine is sourced from PubChem (CID 31522342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).