8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine

C13H15ClN2 — CID 107628661

IUPAC8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine
SMILESCCc1c(C)nc2c(Cl)ccc(C)c2c1N
InChIInChI=1S/C13H15ClN2/c1-4-9-8(3)16-13-10(14)6-5-7(2)11(13)12(9)15/h5-6H,4H2,1-3H3,(H2,15,16)
InChIKeyOPMRWUTXXJEKQN-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.65
Rot. Bonds1

About 8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine

8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine (PubChem CID 107628661) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine
PubChem CID107628661
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine
SMILESCCc1c(C)nc2c(Cl)ccc(C)c2c1N
InChIInChI=1S/C13H15ClN2/c1-4-9-8(3)16-13-10(14)6-5-7(2)11(13)12(9)15/h5-6H,4H2,1-3H3,(H2,15,16)
InChIKeyOPMRWUTXXJEKQN-UHFFFAOYSA-N
XLogP3.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5,8-dichloro-3-ethyl-2-methylquinolin-4-yl)hydrazine
CID 63483882
7,8-dichloro-3-ethyl-2-methylquinolin-4-amine
CID 62203586
5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 55196144
8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine
CID 107531258
8-chloro-5-methyl-2-propylquinazolin-4-amine
CID 106583874
5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 107628750
8-chloro-2,3,5-trimethyl-N-propylquinolin-4-amine
CID 107628672
4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline
CID 63408775
3-ethyl-N,2,5,8-tetramethylquinolin-4-amine
CID 62204126
7-chloro-N,3-diethyl-2,8-dimethylquinolin-4-amine
CID 63480239
7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine
CID 63479361
8-chloro-2,5-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 107628768

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine?
The IUPAC name of 8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine (CID 107628661) is 8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine.
What is the SMILES notation for 8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine?
The canonical SMILES for 8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine is CCc1c(C)nc2c(Cl)ccc(C)c2c1N.
What is the InChIKey of 8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine?
The InChIKey is OPMRWUTXXJEKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-4-9-8(3)16-13-10(14)6-5-7(2)11(13)12(9)15/h5-6H,4H2,1-3H3,(H2,15,16).
What are the key properties of 8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine?
8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine has a molecular weight of 234.73 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine is sourced from PubChem (CID 107628661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).