N-(cyclopropylmethyl)-N-methyl-3-quinazolin-4-ylpyrrolidine-1-sulfonamide

C17H22N4O2S — CID 155957936

IUPACN-(cyclopropylmethyl)-N-methyl-3-quinazolin-4-ylpyrrolidine-1-sulfonamide
SMILESCN(CC1CC1)S(=O)(=O)N1CCC(c2ncnc3ccccc23)C1
InChIInChI=1S/C17H22N4O2S/c1-20(10-13-6-7-13)24(22,23)21-9-8-14(11-21)17-15-4-2-3-5-16(15)18-12-19-17/h2-5,12-14H,6-11H2,1H3
InChIKeyQOKUWWPUTWJOEB-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.01
Rot. Bonds5

About N-(cyclopropylmethyl)-N-methyl-3-quinazolin-4-ylpyrrolidine-1-sulfonamide

N-(cyclopropylmethyl)-N-methyl-3-quinazolin-4-ylpyrrolidine-1-sulfonamide (PubChem CID 155957936) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-3-quinazolin-4-ylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-3-quinazolin-4-ylpyrrolidine-1-sulfonamide
PubChem CID155957936
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-(cyclopropylmethyl)-N-methyl-3-quinazolin-4-ylpyrrolidine-1-sulfonamide
SMILESCN(CC1CC1)S(=O)(=O)N1CCC(c2ncnc3ccccc23)C1
InChIInChI=1S/C17H22N4O2S/c1-20(10-13-6-7-13)24(22,23)21-9-8-14(11-21)17-15-4-2-3-5-16(15)18-12-19-17/h2-5,12-14H,6-11H2,1H3
InChIKeyQOKUWWPUTWJOEB-UHFFFAOYSA-N
XLogP2.01
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-prop-1-enylpyrrolidin-3-yl)quinazoline
CID 175409443
N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 154883300
N,N-diethyl-4-quinolin-4-ylpiperidine-1-sulfonamide
CID 138029984
N-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide
CID 119981830
N-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide
CID 58770643
N-(cyclopropylmethyl)-N-methyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119960920
(3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide
CID 115301795
2-methyl-3-[6-(3-quinazolin-4-ylpyrrolidin-1-yl)purin-9-yl]propan-1-ol
CID 167880070
N-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide;hydrochloride
CID 119961510
N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 171335942
7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline
CID 162748489
N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
CID 36834296

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-3-quinazolin-4-ylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-3-quinazolin-4-ylpyrrolidine-1-sulfonamide (CID 155957936) is N-(cyclopropylmethyl)-N-methyl-3-quinazolin-4-ylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-3-quinazolin-4-ylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-3-quinazolin-4-ylpyrrolidine-1-sulfonamide is CN(CC1CC1)S(=O)(=O)N1CCC(c2ncnc3ccccc23)C1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-3-quinazolin-4-ylpyrrolidine-1-sulfonamide?
The InChIKey is QOKUWWPUTWJOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-20(10-13-6-7-13)24(22,23)21-9-8-14(11-21)17-15-4-2-3-5-16(15)18-12-19-17/h2-5,12-14H,6-11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-3-quinazolin-4-ylpyrrolidine-1-sulfonamide?
N-(cyclopropylmethyl)-N-methyl-3-quinazolin-4-ylpyrrolidine-1-sulfonamide has a molecular weight of 346.46 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-3-quinazolin-4-ylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 155957936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).