N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine

C15H19ClN2O — CID 91774737

IUPACN-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)Cc1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C15H19ClN2O/c1-3-18(8-9-19-2)11-14-6-4-12-10-13(16)5-7-15(12)17-14/h4-7,10H,3,8-9,11H2,1-2H3
InChIKeyLJTXQRWYOKMPTP-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.36
Rot. Bonds6

About N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine

N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine (PubChem CID 91774737) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine
PubChem CID91774737
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)Cc1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C15H19ClN2O/c1-3-18(8-9-19-2)11-14-6-4-12-10-13(16)5-7-15(12)17-14/h4-7,10H,3,8-9,11H2,1-2H3
InChIKeyLJTXQRWYOKMPTP-UHFFFAOYSA-N
XLogP3.36
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine?
The IUPAC name of N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine (CID 91774737) is N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine?
The canonical SMILES for N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine is CCN(CCOC)Cc1ccc2cc(Cl)ccc2n1.
What is the InChIKey of N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine?
The InChIKey is LJTXQRWYOKMPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-3-18(8-9-19-2)11-14-6-4-12-10-13(16)5-7-15(12)17-14/h4-7,10H,3,8-9,11H2,1-2H3.
What are the key properties of N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine?
N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine has a molecular weight of 278.78 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 91774737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).