N-[(3R)-1,1-dioxothiolan-3-yl]-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide

C16H22N2O4S — CID 34948559

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCOc1ccc2c(c1)CCCN2CC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H22N2O4S/c1-22-14-4-5-15-12(9-14)3-2-7-18(15)10-16(19)17-13-6-8-23(20,21)11-13/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,17,19)/t13-/m1/s1
InChIKeyQTKRFYCMXQFSQK-CYBMUJFWSA-N
MW338.43 g/mol
LogP0.75
Rot. Bonds4

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 34948559) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID34948559
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCOc1ccc2c(c1)CCCN2CC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H22N2O4S/c1-22-14-4-5-15-12(9-14)3-2-7-18(15)10-16(19)17-13-6-8-23(20,21)11-13/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,17,19)/t13-/m1/s1
InChIKeyQTKRFYCMXQFSQK-CYBMUJFWSA-N
XLogP0.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
CID 95335063
methyl 1-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 96999474
N-cyclopropyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 17383788
N-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18125383
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
CID 17013970
N-[(3R,4R)-4-chloro-1,1-dioxothiolan-3-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 11925936
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 7090744
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide
CID 95141629
N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 38198162
(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide
CID 35329287
N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide
CID 110852767
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 25333430

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 34948559) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide is COc1ccc2c(c1)CCCN2CC(=O)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is QTKRFYCMXQFSQK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-22-14-4-5-15-12(9-14)3-2-7-18(15)10-16(19)17-13-6-8-23(20,21)11-13/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,17,19)/t13-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 338.43 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 34948559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).