3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone

C19H23N3O3S — CID 6625642

IUPAC3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H23N3O3S/c1-20-14-16(26(24,25)21-10-4-5-11-21)13-18(20)19(23)22-12-6-8-15-7-2-3-9-17(15)22/h2-3,7,9,13-14H,4-6,8,10-12H2,1H3
InChIKeyVZLOGIPFYDMBDV-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.40
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone (PubChem CID 6625642) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone
PubChem CID6625642
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H23N3O3S/c1-20-14-16(26(24,25)21-10-4-5-11-21)13-18(20)19(23)22-12-6-8-15-7-2-3-9-17(15)22/h2-3,7,9,13-14H,4-6,8,10-12H2,1H3
InChIKeyVZLOGIPFYDMBDV-UHFFFAOYSA-N
XLogP2.40
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1158035
N-tert-butyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 20969680
N-(4-tert-butylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27873802
N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46422728
N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46409717
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
N-(4-chlorophenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 17399030
N-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 154836055
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 55661488
1-methyl-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridin-2-one
CID 55574428
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
CID 117218335

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone (CID 6625642) is 3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone is Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone?
The InChIKey is VZLOGIPFYDMBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-20-14-16(26(24,25)21-10-4-5-11-21)13-18(20)19(23)22-12-6-8-15-7-2-3-9-17(15)22/h2-3,7,9,13-14H,4-6,8,10-12H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone has a molecular weight of 373.48 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone is sourced from PubChem (CID 6625642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).