N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine

C16H13ClN2OS — CID 118352001

IUPACN-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine
SMILESCS(=O)c1ccc2nccc(Nc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H13ClN2OS/c1-21(20)13-6-7-15-14(10-13)16(8-9-18-15)19-12-4-2-11(17)3-5-12/h2-10H,1H3,(H,18,19)
InChIKeyACZMKFUXTOKCKE-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.37
Rot. Bonds3

About N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine

N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine (PubChem CID 118352001) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine
PubChem CID118352001
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC NameN-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine
SMILESCS(=O)c1ccc2nccc(Nc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H13ClN2OS/c1-21(20)13-6-7-15-14(10-13)16(8-9-18-15)19-12-4-2-11(17)3-5-12/h2-10H,1H3,(H,18,19)
InChIKeyACZMKFUXTOKCKE-UHFFFAOYSA-N
XLogP4.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-6-ethylquinolin-4-amine
CID 53264796
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
6-chloro-N-methylquinolin-4-amine
CID 62192062
4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide
CID 17016636
7-chloro-N-(4-chlorophenyl)-8-methylquinolin-4-amine
CID 43860092
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfinylquinolin-4-amine
CID 67800978
N-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine
CID 123150888
4-[(6-methylsulfonylquinolin-4-yl)amino]phenol
CID 54673836
4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde
CID 157043577
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine (CID 118352001) is N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine is CS(=O)c1ccc2nccc(Nc3ccc(Cl)cc3)c2c1.
What is the InChIKey of N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine?
The InChIKey is ACZMKFUXTOKCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-21(20)13-6-7-15-14(10-13)16(8-9-18-15)19-12-4-2-11(17)3-5-12/h2-10H,1H3,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine?
N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine has a molecular weight of 316.81 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine is sourced from PubChem (CID 118352001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).