3,7-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]quinolin-2-amine

C16H15N3S — CID 5334902

IUPAC3,7-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]quinolin-2-amine
SMILESCc1ccc2cc(C)c(N/N=C/c3cccs3)nc2c1
InChIInChI=1S/C16H15N3S/c1-11-5-6-13-9-12(2)16(18-15(13)8-11)19-17-10-14-4-3-7-20-14/h3-10H,1-2H3,(H,18,19)/b17-10+
InChIKeyYQYHHHPMJDOTBO-LICLKQGHSA-N
MW281.38 g/mol
LogP4.36
Rot. Bonds3

About 3,7-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]quinolin-2-amine

3,7-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]quinolin-2-amine (PubChem CID 5334902) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3,7-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]quinolin-2-amine.

Molecular Properties

Compound Name3,7-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]quinolin-2-amine
PubChem CID5334902
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name3,7-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]quinolin-2-amine
SMILESCc1ccc2cc(C)c(N/N=C/c3cccs3)nc2c1
InChIInChI=1S/C16H15N3S/c1-11-5-6-13-9-12(2)16(18-15(13)8-11)19-17-10-14-4-3-7-20-14/h3-10H,1-2H3,(H,18,19)/b17-10+
InChIKeyYQYHHHPMJDOTBO-LICLKQGHSA-N
XLogP4.36
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 ≤ 54.36
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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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]quinolin-2-amine?
The IUPAC name of 3,7-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]quinolin-2-amine (CID 5334902) is 3,7-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]quinolin-2-amine.
What is the SMILES notation for 3,7-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]quinolin-2-amine?
The canonical SMILES for 3,7-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]quinolin-2-amine is Cc1ccc2cc(C)c(N/N=C/c3cccs3)nc2c1.
What is the InChIKey of 3,7-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]quinolin-2-amine?
The InChIKey is YQYHHHPMJDOTBO-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-5-6-13-9-12(2)16(18-15(13)8-11)19-17-10-14-4-3-7-20-14/h3-10H,1-2H3,(H,18,19)/b17-10+.
What are the key properties of 3,7-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]quinolin-2-amine?
3,7-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]quinolin-2-amine has a molecular weight of 281.38 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]quinolin-2-amine is sourced from PubChem (CID 5334902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).