N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

C16H21FN4O2S — CID 142582688

IUPACN-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1cc2ncnc(N3CCCC(CNS(C)(=O)=O)C3)c2cc1F
InChIInChI=1S/C16H21FN4O2S/c1-11-6-15-13(7-14(11)17)16(19-10-18-15)21-5-3-4-12(9-21)8-20-24(2,22)23/h6-7,10,12,20H,3-5,8-9H2,1-2H3
InChIKeyRMCAPZLRUQOUBQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.84
Rot. Bonds4

About N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 142582688) has the molecular formula C16H21FN4O2S and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID142582688
Molecular FormulaC16H21FN4O2S
Molecular Weight352.44 g/mol
Exact Mass352.14
IUPAC NameN-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1cc2ncnc(N3CCCC(CNS(C)(=O)=O)C3)c2cc1F
InChIInChI=1S/C16H21FN4O2S/c1-11-6-15-13(7-14(11)17)16(19-10-18-15)21-5-3-4-12(9-21)8-20-24(2,22)23/h6-7,10,12,20H,3-5,8-9H2,1-2H3
InChIKeyRMCAPZLRUQOUBQ-UHFFFAOYSA-N
XLogP1.84
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (CID 142582688) is N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is Cc1cc2ncnc(N3CCCC(CNS(C)(=O)=O)C3)c2cc1F.
What is the InChIKey of N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is RMCAPZLRUQOUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2S/c1-11-6-15-13(7-14(11)17)16(19-10-18-15)21-5-3-4-12(9-21)8-20-24(2,22)23/h6-7,10,12,20H,3-5,8-9H2,1-2H3.
What are the key properties of N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 352.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 142582688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).