N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide

C20H22N4O2S — CID 154883300

IUPACN-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide
SMILESCN(C1CCN(c2ncnc3ccccc23)C1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C20H22N4O2S/c1-23(27(25,26)14-16-7-3-2-4-8-16)17-11-12-24(13-17)20-18-9-5-6-10-19(18)21-15-22-20/h2-10,15,17H,11-14H2,1H3
InChIKeyVQJNJNCSVPQZQI-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.67
Rot. Bonds5

About N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide

N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide (PubChem CID 154883300) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide
PubChem CID154883300
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide
SMILESCN(C1CCN(c2ncnc3ccccc23)C1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C20H22N4O2S/c1-23(27(25,26)14-16-7-3-2-4-8-16)17-11-12-24(13-17)20-18-9-5-6-10-19(18)21-15-22-20/h2-10,15,17H,11-14H2,1H3
InChIKeyVQJNJNCSVPQZQI-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide 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

N-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-3-yl]-N-methyl-1-phenylmethanesulfonamide
CID 154582684
N-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 154582643
N-[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]-N-methyl-1-phenylmethanesulfonamide
CID 154582926
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
piperidin-4-yl N-methyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)carbamate
CID 143957233
4-(3-chloro-4-methylpiperidin-1-yl)quinazoline
CID 102960852
N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
CID 36834296
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methyl-1-phenylmethanesulfonamide
CID 154582766
4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline
CID 114800924
1-methyl-4-quinazolin-4-ylpiperazine-2-carboxylic acid
CID 178170042
N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide
CID 175650317
oxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate
CID 167984115

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide (CID 154883300) is N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide is CN(C1CCN(c2ncnc3ccccc23)C1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide?
The InChIKey is VQJNJNCSVPQZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-23(27(25,26)14-16-7-3-2-4-8-16)17-11-12-24(13-17)20-18-9-5-6-10-19(18)21-15-22-20/h2-10,15,17H,11-14H2,1H3.
What are the key properties of N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide?
N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 154883300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).