N-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

C16H20FN5O3S — CID 170290816

IUPACN-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(C2=NC(O)Nc3cc(F)c(C#N)cc32)C1
InChIInChI=1S/C16H20FN5O3S/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/h5-6,10,16,19-20,23H,2-4,8-9H2,1H3
InChIKeyORNYFYUBGJPOSS-UHFFFAOYSA-N
MW381.43 g/mol
LogP0.41
Rot. Bonds3

About N-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 170290816) has the molecular formula C16H20FN5O3S and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID170290816
Molecular FormulaC16H20FN5O3S
Molecular Weight381.43 g/mol
Exact Mass381.13
IUPAC NameN-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(C2=NC(O)Nc3cc(F)c(C#N)cc32)C1
InChIInChI=1S/C16H20FN5O3S/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/h5-6,10,16,19-20,23H,2-4,8-9H2,1H3
InChIKeyORNYFYUBGJPOSS-UHFFFAOYSA-N
XLogP0.41
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 142582674
N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide
CID 142582846
N-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 162490546
N-[[1-[2-cyano-5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]piperidin-3-yl]methyl]methanesulfonamide
CID 139343578
2-[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]-2-(methanesulfonamido)acetic acid
CID 146331844
(3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 94139251
N-[[(3S)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide
CID 97221826
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
(3R)-N-(2-fluorophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 94139041
N-[[1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55666094
N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide
CID 60609370

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (CID 170290816) is N-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(C2=NC(O)Nc3cc(F)c(C#N)cc32)C1.
What is the InChIKey of N-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is ORNYFYUBGJPOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O3S/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/h5-6,10,16,19-20,23H,2-4,8-9H2,1H3.
What are the key properties of N-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 381.43 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 170290816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).