N-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

C16H18FN5O3S — CID 142582674

IUPACN-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2nc(=O)[nH]c3cc(F)c(C#N)cc23)C1
InChIInChI=1S/C16H18FN5O3S/c1-26(24,25)19-8-10-3-2-4-22(9-10)15-12-5-11(7-18)13(17)6-14(12)20-16(23)21-15/h5-6,10,19H,2-4,8-9H2,1H3,(H,20,21,23)
InChIKeyFRPZVOZDNJJJJV-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.70
Rot. Bonds4

About N-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 142582674) has the molecular formula C16H18FN5O3S and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID142582674
Molecular FormulaC16H18FN5O3S
Molecular Weight379.42 g/mol
Exact Mass379.11
IUPAC NameN-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2nc(=O)[nH]c3cc(F)c(C#N)cc23)C1
InChIInChI=1S/C16H18FN5O3S/c1-26(24,25)19-8-10-3-2-4-22(9-10)15-12-5-11(7-18)13(17)6-14(12)20-16(23)21-15/h5-6,10,19H,2-4,8-9H2,1H3,(H,20,21,23)
InChIKeyFRPZVOZDNJJJJV-UHFFFAOYSA-N
XLogP0.70
TPSA118.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide
CID 142582846
N-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 170290816
2-[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]-2-(methanesulfonamido)acetic acid
CID 146331844
N-[[1-[2-cyano-5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]piperidin-3-yl]methyl]methanesulfonamide
CID 139343578
N-[[(3S)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide
CID 97221826
N-[[(3S)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]methyl]propane-2-sulfonamide
CID 96546219
N-[[(3R)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]methyl]propane-2-sulfonamide
CID 96546218
N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 95348327
N-[[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide
CID 42960358
N-[[(3R)-1-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838899
N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide
CID 60609370
N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 142582779

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (CID 142582674) is N-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(c2nc(=O)[nH]c3cc(F)c(C#N)cc23)C1.
What is the InChIKey of N-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is FRPZVOZDNJJJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O3S/c1-26(24,25)19-8-10-3-2-4-22(9-10)15-12-5-11(7-18)13(17)6-14(12)20-16(23)21-15/h5-6,10,19H,2-4,8-9H2,1H3,(H,20,21,23).
What are the key properties of N-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 379.42 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 142582674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).