2-chloro-6,7-dimethylquinolin-3-amine

C11H11ClN2 — CID 114553740

IUPAC2-chloro-6,7-dimethylquinolin-3-amine
SMILESCc1cc2cc(N)c(Cl)nc2cc1C
InChIInChI=1S/C11H11ClN2/c1-6-3-8-5-9(13)11(12)14-10(8)4-7(6)2/h3-5H,13H2,1-2H3
InChIKeyBFCIXATZLAJGHK-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.09
Rot. Bonds

About 2-chloro-6,7-dimethylquinolin-3-amine

2-chloro-6,7-dimethylquinolin-3-amine (PubChem CID 114553740) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 2-chloro-6,7-dimethylquinolin-3-amine.

Molecular Properties

Compound Name2-chloro-6,7-dimethylquinolin-3-amine
PubChem CID114553740
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name2-chloro-6,7-dimethylquinolin-3-amine
SMILESCc1cc2cc(N)c(Cl)nc2cc1C
InChIInChI=1S/C11H11ClN2/c1-6-3-8-5-9(13)11(12)14-10(8)4-7(6)2/h3-5H,13H2,1-2H3
InChIKeyBFCIXATZLAJGHK-UHFFFAOYSA-N
XLogP3.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.09
H-Bond Donors ≤ 51
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-6,7-dimethylquinolin-3-amine?
The IUPAC name of 2-chloro-6,7-dimethylquinolin-3-amine (CID 114553740) is 2-chloro-6,7-dimethylquinolin-3-amine.
What is the SMILES notation for 2-chloro-6,7-dimethylquinolin-3-amine?
The canonical SMILES for 2-chloro-6,7-dimethylquinolin-3-amine is Cc1cc2cc(N)c(Cl)nc2cc1C.
What is the InChIKey of 2-chloro-6,7-dimethylquinolin-3-amine?
The InChIKey is BFCIXATZLAJGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-6-3-8-5-9(13)11(12)14-10(8)4-7(6)2/h3-5H,13H2,1-2H3.
What are the key properties of 2-chloro-6,7-dimethylquinolin-3-amine?
2-chloro-6,7-dimethylquinolin-3-amine has a molecular weight of 206.68 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dimethylquinolin-3-amine is sourced from PubChem (CID 114553740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).