8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine

C12H13ClN2O — CID 84628644

IUPAC8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine
SMILESCNc1cc(C)c2c(OC)ccc(Cl)c2n1
InChIInChI=1S/C12H13ClN2O/c1-7-6-10(14-2)15-12-8(13)4-5-9(16-3)11(7)12/h4-6H,1-3H3,(H,14,15)
InChIKeyUSBDUVPBQPAFQZ-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.25
Rot. Bonds2

About 8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine

8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine (PubChem CID 84628644) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine.

Molecular Properties

Compound Name8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine
PubChem CID84628644
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine
SMILESCNc1cc(C)c2c(OC)ccc(Cl)c2n1
InChIInChI=1S/C12H13ClN2O/c1-7-6-10(14-2)15-12-8(13)4-5-9(16-3)11(7)12/h4-6H,1-3H3,(H,14,15)
InChIKeyUSBDUVPBQPAFQZ-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5,8-dimethoxy-4-methylquinolin-2-amine
CID 31274915
8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84640245
(8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine
CID 62251551
8-chloro-5-methoxy-N-methylquinolin-4-amine
CID 62190828
4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline
CID 63744411
2,8-dichloro-5-methoxy-3-methylquinoline
CID 63232144
2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine
CID 65022234
4-N-(4-chloro-3-methoxyphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 107623619
2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 62190799
8-chloro-N-ethyl-5-methoxy-2-propylquinolin-4-amine
CID 55194820
1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine
CID 82575794
8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 63744590

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine?
The IUPAC name of 8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine (CID 84628644) is 8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine.
What is the SMILES notation for 8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine?
The canonical SMILES for 8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine is CNc1cc(C)c2c(OC)ccc(Cl)c2n1.
What is the InChIKey of 8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine?
The InChIKey is USBDUVPBQPAFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-7-6-10(14-2)15-12-8(13)4-5-9(16-3)11(7)12/h4-6H,1-3H3,(H,14,15).
What are the key properties of 8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine?
8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine has a molecular weight of 236.70 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine is sourced from PubChem (CID 84628644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).