N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide

C19H23N5O3S — CID 170513028

IUPACN-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide
SMILESCCCNc1ncc(-c2cc(C)c3cc(NS(C)(=O)=O)c(OC)cc3n2)cn1
InChIInChI=1S/C19H23N5O3S/c1-5-6-20-19-21-10-13(11-22-19)15-7-12(2)14-8-17(24-28(4,25)26)18(27-3)9-16(14)23-15/h7-11,24H,5-6H2,1-4H3,(H,20,21,22)
InChIKeyYMLNYSCENIJGMF-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.20
Rot. Bonds7

About N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide

N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide (PubChem CID 170513028) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide
PubChem CID170513028
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC NameN-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide
SMILESCCCNc1ncc(-c2cc(C)c3cc(NS(C)(=O)=O)c(OC)cc3n2)cn1
InChIInChI=1S/C19H23N5O3S/c1-5-6-20-19-21-10-13(11-22-19)15-7-12(2)14-8-17(24-28(4,25)26)18(27-3)9-16(14)23-15/h7-11,24H,5-6H2,1-4H3,(H,20,21,22)
InChIKeyYMLNYSCENIJGMF-UHFFFAOYSA-N
XLogP3.20
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid
CID 171338851
N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide
CID 169421069
5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 169416582
N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide
CID 170505012
N-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide
CID 169421838
2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline
CID 102444237
N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide
CID 169411496
6,7-dimethoxy-2,3-dimethyl-N-propylquinolin-4-amine
CID 62203946
5,6,7-trimethoxy-3-methyl-N-propylquinolin-2-amine
CID 63231688
N-[6-methoxy-4-methyl-2-(1-methylpyrazol-4-yl)quinolin-7-yl]acetamide
CID 169414607
N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246802
N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide
CID 110776836

Frequently Asked Questions

What is the IUPAC name of N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide?
The IUPAC name of N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide (CID 170513028) is N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide.
What is the SMILES notation for N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide?
The canonical SMILES for N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide is CCCNc1ncc(-c2cc(C)c3cc(NS(C)(=O)=O)c(OC)cc3n2)cn1.
What is the InChIKey of N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide?
The InChIKey is YMLNYSCENIJGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-5-6-20-19-21-10-13(11-22-19)15-7-12(2)14-8-17(24-28(4,25)26)18(27-3)9-16(14)23-15/h7-11,24H,5-6H2,1-4H3,(H,20,21,22).
What are the key properties of N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide?
N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide is sourced from PubChem (CID 170513028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).