N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide

C19H24FN5O2S — CID 142582846

IUPACN-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1CCCN(c2ncnc3cc(F)c(C#N)cc23)C1
InChIInChI=1S/C19H24FN5O2S/c1-19(2,3)28(26,27)24-10-13-5-4-6-25(11-13)18-15-7-14(9-21)16(20)8-17(15)22-12-23-18/h7-8,12-13,24H,4-6,10-11H2,1-3H3
InChIKeyXUIVOFIVIYTSPL-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.57
Rot. Bonds4

About N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide

N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide (PubChem CID 142582846) has the molecular formula C19H24FN5O2S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide
PubChem CID142582846
Molecular FormulaC19H24FN5O2S
Molecular Weight405.50 g/mol
Exact Mass405.16
IUPAC NameN-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1CCCN(c2ncnc3cc(F)c(C#N)cc23)C1
InChIInChI=1S/C19H24FN5O2S/c1-19(2,3)28(26,27)24-10-13-5-4-6-25(11-13)18-15-7-14(9-21)16(20)8-17(15)22-12-23-18/h7-8,12-13,24H,4-6,10-11H2,1-3H3
InChIKeyXUIVOFIVIYTSPL-UHFFFAOYSA-N
XLogP2.57
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]-2-(methanesulfonamido)acetic acid
CID 146331844
N-[[1-(6-cyano-7-fluoro-2-oxo-1H-quinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 142582674
4-chloro-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide
CID 139577516
4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide
CID 142582643
N-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 170290816
1-[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-(trifluoromethylsulfanyl)methanamine
CID 142582760
N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 142582779
4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 52874103
tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]carbamate;[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanamine;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;methanesulfonyl chloride;hydrochloride
CID 158804492
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582682
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

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide (CID 142582846) is N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCC1CCCN(c2ncnc3cc(F)c(C#N)cc23)C1.
What is the InChIKey of N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide?
The InChIKey is XUIVOFIVIYTSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2S/c1-19(2,3)28(26,27)24-10-13-5-4-6-25(11-13)18-15-7-14(9-21)16(20)8-17(15)22-12-23-18/h7-8,12-13,24H,4-6,10-11H2,1-3H3.
What are the key properties of N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide?
N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide has a molecular weight of 405.50 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 142582846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).