1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine

C13H15ClN2O — CID 82575794

IUPAC1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine
SMILESCOc1ccc(Cl)c2c(C)cc(C(C)N)nc12
InChIInChI=1S/C13H15ClN2O/c1-7-6-10(8(2)15)16-13-11(17-3)5-4-9(14)12(7)13/h4-6,8H,15H2,1-3H3
InChIKeyCGJBCNOOGWKPDB-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.22
Rot. Bonds2

About 1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine

1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine (PubChem CID 82575794) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine
PubChem CID82575794
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine
SMILESCOc1ccc(Cl)c2c(C)cc(C(C)N)nc12
InChIInChI=1S/C13H15ClN2O/c1-7-6-10(8(2)15)16-13-11(17-3)5-4-9(14)12(7)13/h4-6,8H,15H2,1-3H3
InChIKeyCGJBCNOOGWKPDB-UHFFFAOYSA-N
XLogP3.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574937
2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid
CID 84637663
4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline
CID 43668583
2,8-dichloro-5-methoxy-3-methylquinoline
CID 63232144
5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine
CID 62318416
(5,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine
CID 55050910
8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine
CID 84628644
5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine
CID 63481445
[2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine
CID 62890904
4,5-dichloro-8-methoxyquinoline
CID 43531957
4,5-dichloro-8-methyl-2-propan-2-ylquinoline
CID 43668547
4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline
CID 55186942

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine?
The IUPAC name of 1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine (CID 82575794) is 1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine.
What is the SMILES notation for 1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine?
The canonical SMILES for 1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine is COc1ccc(Cl)c2c(C)cc(C(C)N)nc12.
What is the InChIKey of 1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine?
The InChIKey is CGJBCNOOGWKPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-7-6-10(8(2)15)16-13-11(17-3)5-4-9(14)12(7)13/h4-6,8H,15H2,1-3H3.
What are the key properties of 1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine?
1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine has a molecular weight of 250.73 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine is sourced from PubChem (CID 82575794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).