N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide

C20H22N2O3S — CID 110666154

IUPACN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCc1cc2cc(CNS(=O)(=O)CCCc3ccccc3)ccc2[nH]c1=O
InChIInChI=1S/C20H22N2O3S/c1-15-12-18-13-17(9-10-19(18)22-20(15)23)14-21-26(24,25)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,21H,5,8,11,14H2,1H3,(H,22,23)
InChIKeyQTSNSUAVBSABCR-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.89
Rot. Bonds7

About N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide

N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110666154) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide
PubChem CID110666154
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCc1cc2cc(CNS(=O)(=O)CCCc3ccccc3)ccc2[nH]c1=O
InChIInChI=1S/C20H22N2O3S/c1-15-12-18-13-17(9-10-19(18)22-20(15)23)14-21-26(24,25)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,21H,5,8,11,14H2,1H3,(H,22,23)
InChIKeyQTSNSUAVBSABCR-UHFFFAOYSA-N
XLogP2.89
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide (CID 110666154) is N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide is Cc1cc2cc(CNS(=O)(=O)CCCc3ccccc3)ccc2[nH]c1=O.
What is the InChIKey of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is QTSNSUAVBSABCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15-12-18-13-17(9-10-19(18)22-20(15)23)14-21-26(24,25)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,21H,5,8,11,14H2,1H3,(H,22,23).
What are the key properties of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide?
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 370.47 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110666154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).