N-(5-methoxy-2,4-dimethylphenyl)-6-methylsulfonylquinolin-4-amine

C19H20N2O3S — CID 67465372

IUPACN-(5-methoxy-2,4-dimethylphenyl)-6-methylsulfonylquinolin-4-amine
SMILESCOc1cc(Nc2ccnc3ccc(S(C)(=O)=O)cc23)c(C)cc1C
InChIInChI=1S/C19H20N2O3S/c1-12-9-13(2)19(24-3)11-18(12)21-17-7-8-20-16-6-5-14(10-15(16)17)25(4,22)23/h5-11H,1-4H3,(H,20,21)
InChIKeyHSOZYVHUFGJVDH-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.01
Rot. Bonds4

About N-(5-methoxy-2,4-dimethylphenyl)-6-methylsulfonylquinolin-4-amine

N-(5-methoxy-2,4-dimethylphenyl)-6-methylsulfonylquinolin-4-amine (PubChem CID 67465372) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(5-methoxy-2,4-dimethylphenyl)-6-methylsulfonylquinolin-4-amine.

Molecular Properties

Compound NameN-(5-methoxy-2,4-dimethylphenyl)-6-methylsulfonylquinolin-4-amine
PubChem CID67465372
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-(5-methoxy-2,4-dimethylphenyl)-6-methylsulfonylquinolin-4-amine
SMILESCOc1cc(Nc2ccnc3ccc(S(C)(=O)=O)cc23)c(C)cc1C
InChIInChI=1S/C19H20N2O3S/c1-12-9-13(2)19(24-3)11-18(12)21-17-7-8-20-16-6-5-14(10-15(16)17)25(4,22)23/h5-11H,1-4H3,(H,20,21)
InChIKeyHSOZYVHUFGJVDH-UHFFFAOYSA-N
XLogP4.01
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-Methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide
CID 11280182
4-Methyl-3-{[6-(Methylsulfonyl)quinolin-4-Yl]amino}phenol
CID 9927432
6-(Benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
CID 11293791
4-(4-Fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11350199
8-Ethyl-4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 11258592
4-(4-Fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 11406619
6-(Benzenesulfonyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
CID 11750855
6,7-Dimethoxy-4-(4-methylsulfanyl-phenylamino)-quinoline-3-carbonitrile
CID 22466681
2,4,6-trimethyl-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
CID 57651588
7-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 132160057
7-methoxy-N-[(4-methoxyphenyl)methyl]quinolin-4-amine
CID 44533388
4-(3-Methoxyanilino)-6-methylsulfonylquinoline-3-carbonitrile
CID 44564845

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2,4-dimethylphenyl)-6-methylsulfonylquinolin-4-amine?
The IUPAC name of N-(5-methoxy-2,4-dimethylphenyl)-6-methylsulfonylquinolin-4-amine (CID 67465372) is N-(5-methoxy-2,4-dimethylphenyl)-6-methylsulfonylquinolin-4-amine.
What is the SMILES notation for N-(5-methoxy-2,4-dimethylphenyl)-6-methylsulfonylquinolin-4-amine?
The canonical SMILES for N-(5-methoxy-2,4-dimethylphenyl)-6-methylsulfonylquinolin-4-amine is COc1cc(Nc2ccnc3ccc(S(C)(=O)=O)cc23)c(C)cc1C.
What is the InChIKey of N-(5-methoxy-2,4-dimethylphenyl)-6-methylsulfonylquinolin-4-amine?
The InChIKey is HSOZYVHUFGJVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-12-9-13(2)19(24-3)11-18(12)21-17-7-8-20-16-6-5-14(10-15(16)17)25(4,22)23/h5-11H,1-4H3,(H,20,21).
What are the key properties of N-(5-methoxy-2,4-dimethylphenyl)-6-methylsulfonylquinolin-4-amine?
N-(5-methoxy-2,4-dimethylphenyl)-6-methylsulfonylquinolin-4-amine has a molecular weight of 356.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2,4-dimethylphenyl)-6-methylsulfonylquinolin-4-amine is sourced from PubChem (CID 67465372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).