4-chloro-3,7-dimethylquinolin-8-amine

C11H11ClN2 — CID 125425329

IUPAC4-chloro-3,7-dimethylquinolin-8-amine
SMILESCc1cnc2c(N)c(C)ccc2c1Cl
InChIInChI=1S/C11H11ClN2/c1-6-3-4-8-9(12)7(2)5-14-11(8)10(6)13/h3-5H,13H2,1-2H3
InChIKeyBGFODBHHLHFTAB-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.09
Rot. Bonds

About 4-chloro-3,7-dimethylquinolin-8-amine

4-chloro-3,7-dimethylquinolin-8-amine (PubChem CID 125425329) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 4-chloro-3,7-dimethylquinolin-8-amine.

Molecular Properties

Compound Name4-chloro-3,7-dimethylquinolin-8-amine
PubChem CID125425329
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name4-chloro-3,7-dimethylquinolin-8-amine
SMILESCc1cnc2c(N)c(C)ccc2c1Cl
InChIInChI=1S/C11H11ClN2/c1-6-3-4-8-9(12)7(2)5-14-11(8)10(6)13/h3-5H,13H2,1-2H3
InChIKeyBGFODBHHLHFTAB-UHFFFAOYSA-N
XLogP3.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,8-dichloro-7-methoxy-3-methylquinoline
CID 171373308
4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine
CID 125425900
7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine
CID 125426292
4-chloro-5-fluoro-3,8-dimethylquinoline
CID 171373227
4,6,7-trichloro-8-fluoro-3-methylquinoline
CID 171373330
4-chloro-7-iodo-3-methylquinoline
CID 163475461
7-bromo-4-chloro-3,6,8-trimethylquinoline
CID 171373456
4-chloro-6,8-difluoro-3,7-dimethylquinoline
CID 171373268
4-chloro-6-methoxy-3,8-dimethylquinoline
CID 171373217
3-bromo-4-chloro-5-methylpyridin-2-amine
CID 130058362
4-chloro-3,6,7-trimethylquinoline
CID 131861534
4,6-dichloro-8-methoxy-3-methylquinoline
CID 171373411

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,7-dimethylquinolin-8-amine?
The IUPAC name of 4-chloro-3,7-dimethylquinolin-8-amine (CID 125425329) is 4-chloro-3,7-dimethylquinolin-8-amine.
What is the SMILES notation for 4-chloro-3,7-dimethylquinolin-8-amine?
The canonical SMILES for 4-chloro-3,7-dimethylquinolin-8-amine is Cc1cnc2c(N)c(C)ccc2c1Cl.
What is the InChIKey of 4-chloro-3,7-dimethylquinolin-8-amine?
The InChIKey is BGFODBHHLHFTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-6-3-4-8-9(12)7(2)5-14-11(8)10(6)13/h3-5H,13H2,1-2H3.
What are the key properties of 4-chloro-3,7-dimethylquinolin-8-amine?
4-chloro-3,7-dimethylquinolin-8-amine has a molecular weight of 206.68 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,7-dimethylquinolin-8-amine is sourced from PubChem (CID 125425329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).