(4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide

C18H20FN3O3S — CID 97215376

IUPAC(4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C18H20FN3O3S/c1-3-10(2)20-17(24)15-8-26-9-22(15)18(25)13-7-16(23)21-14-6-11(19)4-5-12(13)14/h4-7,10,15H,3,8-9H2,1-2H3,(H,20,24)(H,21,23)/t10-,15+/m1/s1
InChIKeyMATRWRXGHGPFBG-BMIGLBTASA-N
MW377.44 g/mol
LogP2.10
Rot. Bonds4

About (4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide

(4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 97215376) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is (4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID97215376
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name(4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C18H20FN3O3S/c1-3-10(2)20-17(24)15-8-26-9-22(15)18(25)13-7-16(23)21-14-6-11(19)4-5-12(13)14/h4-7,10,15H,3,8-9H2,1-2H3,(H,20,24)(H,21,23)/t10-,15+/m1/s1
InChIKeyMATRWRXGHGPFBG-BMIGLBTASA-N
XLogP2.10
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
CID 119435559
4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71930254
N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745328
(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 93041089
N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 60609336
(4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 97315914
4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71874791
(4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide
CID 95145718
(4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 124742587
2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid
CID 154868364
(3S)-2-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125151442
N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 131941647

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 97215376) is (4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide is CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of (4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is MATRWRXGHGPFBG-BMIGLBTASA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-3-10(2)20-17(24)15-8-26-9-22(15)18(25)13-7-16(23)21-14-6-11(19)4-5-12(13)14/h4-7,10,15H,3,8-9H2,1-2H3,(H,20,24)(H,21,23)/t10-,15+/m1/s1.
What are the key properties of (4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97215376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).