N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide

C16H19F3N4O2S — CID 165097147

IUPACN-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESCc1cc2ncnc(N3CC(CCNS(=O)(=O)C(F)(F)F)C3)c2cc1C
InChIInChI=1S/C16H19F3N4O2S/c1-10-5-13-14(6-11(10)2)20-9-21-15(13)23-7-12(8-23)3-4-22-26(24,25)16(17,18)19/h5-6,9,12,22H,3-4,7-8H2,1-2H3
InChIKeyWZOXLQWDZIDRFG-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.51
Rot. Bonds5

About N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide

N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 165097147) has the molecular formula C16H19F3N4O2S and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID165097147
Molecular FormulaC16H19F3N4O2S
Molecular Weight388.42 g/mol
Exact Mass388.12
IUPAC NameN-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESCc1cc2ncnc(N3CC(CCNS(=O)(=O)C(F)(F)F)C3)c2cc1C
InChIInChI=1S/C16H19F3N4O2S/c1-10-5-13-14(6-11(10)2)20-9-21-15(13)23-7-12(8-23)3-4-22-26(24,25)16(17,18)19/h5-6,9,12,22H,3-4,7-8H2,1-2H3
InChIKeyWZOXLQWDZIDRFG-UHFFFAOYSA-N
XLogP2.51
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide 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

4-N,4-N-dimethyl-1-N-[6-(trifluoromethyl)quinazolin-4-yl]cyclohexane-1,4-diamine
CID 121255074
N-[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide
CID 3233006
N-[3-[4-(4-fluoroanilino)quinazolin-6-yl]phenyl]methanesulfonamide
CID 3233306
N-[3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]phenyl]methanesulfonamide
CID 3233341
N-[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methanesulfonamide
CID 3233880
N-[3-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]phenyl]methanesulfonamide
CID 3234746
N-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide
CID 3235544
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide
CID 70681402
N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]propane-1-sulfonamide
CID 70685605
1-N-(6,7-dimethylquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 125479776
N-[1-[4-[methyl(methylsulfonyl)amino]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 54771513
N-[cis-4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine
CID 121255023

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide (CID 165097147) is N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide is Cc1cc2ncnc(N3CC(CCNS(=O)(=O)C(F)(F)F)C3)c2cc1C.
What is the InChIKey of N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is WZOXLQWDZIDRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2S/c1-10-5-13-14(6-11(10)2)20-9-21-15(13)23-7-12(8-23)3-4-22-26(24,25)16(17,18)19/h5-6,9,12,22H,3-4,7-8H2,1-2H3.
What are the key properties of N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 388.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 165097147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).