N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide

C16H16FN3O5S — CID 110605998

IUPACN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1cc2ccc(F)cc2[nH]c1=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H16FN3O5S/c17-10-2-1-9-5-12(16(23)20-13(9)6-10)15(22)18-7-14(21)19-11-3-4-26(24,25)8-11/h1-2,5-6,11H,3-4,7-8H2,(H,18,22)(H,19,21)(H,20,23)
InChIKeyMKFJEUPRBGONLF-UHFFFAOYSA-N
MW381.39 g/mol
LogP-0.30
Rot. Bonds4

About N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide

N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 110605998) has the molecular formula C16H16FN3O5S and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
PubChem CID110605998
Molecular FormulaC16H16FN3O5S
Molecular Weight381.39 g/mol
Exact Mass381.08
IUPAC NameN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1cc2ccc(F)cc2[nH]c1=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H16FN3O5S/c17-10-2-1-9-5-12(16(23)20-13(9)6-10)15(22)18-7-14(21)19-11-3-4-26(24,25)8-11/h1-2,5-6,11H,3-4,7-8H2,(H,18,22)(H,19,21)(H,20,23)
InChIKeyMKFJEUPRBGONLF-UHFFFAOYSA-N
XLogP-0.30
TPSA125.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide
CID 110852734
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CID 110607516
N-(cyclopentylmethyl)-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110627525
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-oxochromene-3-carboxamide
CID 110673344
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46559066
(Z)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide
CID 52515979
3-bromo-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]benzamide
CID 51240327
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
CID 51240347
N-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 155963960
N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 95273962
N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110407034
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide (CID 110605998) is N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide is O=C(CNC(=O)c1cc2ccc(F)cc2[nH]c1=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is MKFJEUPRBGONLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O5S/c17-10-2-1-9-5-12(16(23)20-13(9)6-10)15(22)18-7-14(21)19-11-3-4-26(24,25)8-11/h1-2,5-6,11H,3-4,7-8H2,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide?
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 381.39 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110605998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).