N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

C16H21FN2O3S — CID 37383549

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCc1cc(F)c2c(c1)CCCN2CC(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H21FN2O3S/c1-11-7-12-3-2-5-19(16(12)14(17)8-11)9-15(20)18-13-4-6-23(21,22)10-13/h7-8,13H,2-6,9-10H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyAUTIHTIPFUEMFX-ZDUSSCGKSA-N
MW340.42 g/mol
LogP1.19
Rot. Bonds3

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 37383549) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID37383549
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCc1cc(F)c2c(c1)CCCN2CC(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H21FN2O3S/c1-11-7-12-3-2-5-19(16(12)14(17)8-11)9-15(20)18-13-4-6-23(21,22)10-13/h7-8,13H,2-6,9-10H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyAUTIHTIPFUEMFX-ZDUSSCGKSA-N
XLogP1.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 37383549) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is Cc1cc(F)c2c(c1)CCCN2CC(=O)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is AUTIHTIPFUEMFX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-11-7-12-3-2-5-19(16(12)14(17)8-11)9-15(20)18-13-4-6-23(21,22)10-13/h7-8,13H,2-6,9-10H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 340.42 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 37383549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).