2-chloro-N,N,4-trimethylquinolin-7-amine

C12H13ClN2 — CID 14579996

IUPAC2-chloro-N,N,4-trimethylquinolin-7-amine
SMILESCc1cc(Cl)nc2cc(N(C)C)ccc12
InChIInChI=1S/C12H13ClN2/c1-8-6-12(13)14-11-7-9(15(2)3)4-5-10(8)11/h4-7H,1-3H3
InChIKeyZAHHPXSXYBDBBB-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.26
Rot. Bonds1

About 2-chloro-N,N,4-trimethylquinolin-7-amine

2-chloro-N,N,4-trimethylquinolin-7-amine (PubChem CID 14579996) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-chloro-N,N,4-trimethylquinolin-7-amine.

Molecular Properties

Compound Name2-chloro-N,N,4-trimethylquinolin-7-amine
PubChem CID14579996
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name2-chloro-N,N,4-trimethylquinolin-7-amine
SMILESCc1cc(Cl)nc2cc(N(C)C)ccc12
InChIInChI=1S/C12H13ClN2/c1-8-6-12(13)14-11-7-9(15(2)3)4-5-10(8)11/h4-7H,1-3H3
InChIKeyZAHHPXSXYBDBBB-UHFFFAOYSA-N
XLogP3.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N,4-trimethylquinolin-7-amine?
The IUPAC name of 2-chloro-N,N,4-trimethylquinolin-7-amine (CID 14579996) is 2-chloro-N,N,4-trimethylquinolin-7-amine.
What is the SMILES notation for 2-chloro-N,N,4-trimethylquinolin-7-amine?
The canonical SMILES for 2-chloro-N,N,4-trimethylquinolin-7-amine is Cc1cc(Cl)nc2cc(N(C)C)ccc12.
What is the InChIKey of 2-chloro-N,N,4-trimethylquinolin-7-amine?
The InChIKey is ZAHHPXSXYBDBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-8-6-12(13)14-11-7-9(15(2)3)4-5-10(8)11/h4-7H,1-3H3.
What are the key properties of 2-chloro-N,N,4-trimethylquinolin-7-amine?
2-chloro-N,N,4-trimethylquinolin-7-amine has a molecular weight of 220.70 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N,4-trimethylquinolin-7-amine is sourced from PubChem (CID 14579996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).