5,8-dichloro-N-ethyl-6-methylquinolin-4-amine

C12H12Cl2N2 — CID 104728177

IUPAC5,8-dichloro-N-ethyl-6-methylquinolin-4-amine
SMILESCCNc1ccnc2c(Cl)cc(C)c(Cl)c12
InChIInChI=1S/C12H12Cl2N2/c1-3-15-9-4-5-16-12-8(13)6-7(2)11(14)10(9)12/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyOYFQCMZGKLDNEL-UHFFFAOYSA-N
MW255.15 g/mol
LogP4.28
Rot. Bonds2

About 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine

5,8-dichloro-N-ethyl-6-methylquinolin-4-amine (PubChem CID 104728177) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine.

Molecular Properties

Compound Name5,8-dichloro-N-ethyl-6-methylquinolin-4-amine
PubChem CID104728177
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name5,8-dichloro-N-ethyl-6-methylquinolin-4-amine
SMILESCCNc1ccnc2c(Cl)cc(C)c(Cl)c12
InChIInChI=1S/C12H12Cl2N2/c1-3-15-9-4-5-16-12-8(13)6-7(2)11(14)10(9)12/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyOYFQCMZGKLDNEL-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-N-ethylquinolin-4-amine
CID 62190462
6-bromo-N-ethyl-8-methylquinolin-4-amine
CID 62190993
5,8-dimethyl-N-propylquinolin-4-amine
CID 62191878
5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 104728229
8-chloro-5-methoxy-N-propylquinolin-4-amine
CID 62190827
5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine
CID 104728368
6,8-dibromo-N-ethylquinolin-4-amine
CID 62191882
5,6,8-trichloro-4-(ethylamino)quinoline-3-carbonitrile
CID 55045004
2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine
CID 107628716
8-bromo-5-methyl-N-propylquinolin-4-amine
CID 82758771
N-ethyl-7-methylquinolin-4-amine
CID 89060504
6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine
CID 62357068

Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine?
The IUPAC name of 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine (CID 104728177) is 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine.
What is the SMILES notation for 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine?
The canonical SMILES for 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine is CCNc1ccnc2c(Cl)cc(C)c(Cl)c12.
What is the InChIKey of 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine?
The InChIKey is OYFQCMZGKLDNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2/c1-3-15-9-4-5-16-12-8(13)6-7(2)11(14)10(9)12/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine?
5,8-dichloro-N-ethyl-6-methylquinolin-4-amine has a molecular weight of 255.15 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine is sourced from PubChem (CID 104728177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).