N-[(3R,4S)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide

C19H27N3O3S — CID 164639262

IUPACN-[(3R,4S)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@H]1CN(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C19H27N3O3S/c1-4-5-14-10-22(12-18(14)21-26(3,24)25)11-16-9-15-8-13(2)6-7-17(15)20-19(16)23/h6-9,14,18,21H,4-5,10-12H2,1-3H3,(H,20,23)/t14-,18-/m0/s1
InChIKeyYHXLUIGCURQRPT-KSSFIOAISA-N
MW377.51 g/mol
LogP1.99
Rot. Bonds6

About N-[(3R,4S)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide

N-[(3R,4S)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 164639262) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[(3R,4S)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
PubChem CID164639262
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-[(3R,4S)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@H]1CN(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C19H27N3O3S/c1-4-5-14-10-22(12-18(14)21-26(3,24)25)11-16-9-15-8-13(2)6-7-17(15)20-19(16)23/h6-9,14,18,21H,4-5,10-12H2,1-3H3,(H,20,23)/t14-,18-/m0/s1
InChIKeyYHXLUIGCURQRPT-KSSFIOAISA-N
XLogP1.99
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide (CID 164639262) is N-[(3R,4S)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide is CCC[C@H]1CN(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3R,4S)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is YHXLUIGCURQRPT-KSSFIOAISA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-4-5-14-10-22(12-18(14)21-26(3,24)25)11-16-9-15-8-13(2)6-7-17(15)20-19(16)23/h6-9,14,18,21H,4-5,10-12H2,1-3H3,(H,20,23)/t14-,18-/m0/s1.
What are the key properties of N-[(3R,4S)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4S)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 164639262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).