7-chloro-N-(thiophen-2-ylmethylideneamino)quinolin-4-amine

C14H10ClN3S — CID 4645982

IUPAC7-chloro-N-(thiophen-2-ylmethylideneamino)quinolin-4-amine
SMILESClc1ccc2c(NN=Cc3cccs3)ccnc2c1
InChIInChI=1S/C14H10ClN3S/c15-10-3-4-12-13(5-6-16-14(12)8-10)18-17-9-11-2-1-7-19-11/h1-9H,(H,16,18)
InChIKeyFCVCFHUYRQGYGU-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.40
Rot. Bonds3

About 7-chloro-N-(thiophen-2-ylmethylideneamino)quinolin-4-amine

7-chloro-N-(thiophen-2-ylmethylideneamino)quinolin-4-amine (PubChem CID 4645982) has the molecular formula C14H10ClN3S and a molecular weight of 287.78 g/mol. Its IUPAC name is 7-chloro-N-(thiophen-2-ylmethylideneamino)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(thiophen-2-ylmethylideneamino)quinolin-4-amine
PubChem CID4645982
Molecular FormulaC14H10ClN3S
Molecular Weight287.78 g/mol
Exact Mass287.03
IUPAC Name7-chloro-N-(thiophen-2-ylmethylideneamino)quinolin-4-amine
SMILESClc1ccc2c(NN=Cc3cccs3)ccnc2c1
InChIInChI=1S/C14H10ClN3S/c15-10-3-4-12-13(5-6-16-14(12)8-10)18-17-9-11-2-1-7-19-11/h1-9H,(H,16,18)
InChIKeyFCVCFHUYRQGYGU-UHFFFAOYSA-N
XLogP4.40
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 54.40
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 7-chloro-N-(thiophen-2-ylmethylideneamino)quinolin-4-amine?
The IUPAC name of 7-chloro-N-(thiophen-2-ylmethylideneamino)quinolin-4-amine (CID 4645982) is 7-chloro-N-(thiophen-2-ylmethylideneamino)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-(thiophen-2-ylmethylideneamino)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-(thiophen-2-ylmethylideneamino)quinolin-4-amine is Clc1ccc2c(NN=Cc3cccs3)ccnc2c1.
What is the InChIKey of 7-chloro-N-(thiophen-2-ylmethylideneamino)quinolin-4-amine?
The InChIKey is FCVCFHUYRQGYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3S/c15-10-3-4-12-13(5-6-16-14(12)8-10)18-17-9-11-2-1-7-19-11/h1-9H,(H,16,18).
What are the key properties of 7-chloro-N-(thiophen-2-ylmethylideneamino)quinolin-4-amine?
7-chloro-N-(thiophen-2-ylmethylideneamino)quinolin-4-amine has a molecular weight of 287.78 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(thiophen-2-ylmethylideneamino)quinolin-4-amine is sourced from PubChem (CID 4645982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).