5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine

C13H15ClN2O — CID 63232251

IUPAC5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine
SMILESCCc1cc2c(Cl)ccc(OC)c2nc1NC
InChIInChI=1S/C13H15ClN2O/c1-4-8-7-9-10(14)5-6-11(17-3)12(9)16-13(8)15-2/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyDPHXHHNAQRMMIV-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.50
Rot. Bonds3

About 5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine

5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine (PubChem CID 63232251) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine.

Molecular Properties

Compound Name5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine
PubChem CID63232251
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine
SMILESCCc1cc2c(Cl)ccc(OC)c2nc1NC
InChIInChI=1S/C13H15ClN2O/c1-4-8-7-9-10(14)5-6-11(17-3)12(9)16-13(8)15-2/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyDPHXHHNAQRMMIV-UHFFFAOYSA-N
XLogP3.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine?
The IUPAC name of 5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine (CID 63232251) is 5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine.
What is the SMILES notation for 5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine?
The canonical SMILES for 5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine is CCc1cc2c(Cl)ccc(OC)c2nc1NC.
What is the InChIKey of 5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine?
The InChIKey is DPHXHHNAQRMMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-4-8-7-9-10(14)5-6-11(17-3)12(9)16-13(8)15-2/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of 5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine?
5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine has a molecular weight of 250.73 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine is sourced from PubChem (CID 63232251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).