2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide

C15H17FN2OS — CID 65496611

IUPAC2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide
SMILESNC(=S)CC1(CN2C(=O)CCc3ccc(F)cc32)CC1
InChIInChI=1S/C15H17FN2OS/c16-11-3-1-10-2-4-14(19)18(12(10)7-11)9-15(5-6-15)8-13(17)20/h1,3,7H,2,4-6,8-9H2,(H2,17,20)
InChIKeyPMGDADZMHHGRQY-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.56
Rot. Bonds4

About 2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide

2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide (PubChem CID 65496611) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide
PubChem CID65496611
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide
SMILESNC(=S)CC1(CN2C(=O)CCc3ccc(F)cc32)CC1
InChIInChI=1S/C15H17FN2OS/c16-11-3-1-10-2-4-14(19)18(12(10)7-11)9-15(5-6-15)8-13(17)20/h1,3,7H,2,4-6,8-9H2,(H2,17,20)
InChIKeyPMGDADZMHHGRQY-UHFFFAOYSA-N
XLogP2.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide with MolForge

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Related Compounds

6-Amino-1-methyl-1,2,3,4-tetrahydroquinolin-2-one
CID 21877756
n-{1-[3-(5-Fluoro-2-oxo-3,4-dihydro-2h-quinolin-1-yl)-propyl]-piperidin-4-yl}-propionamide
CID 44207904
2-(1-Cyclopropylmethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl)-N-hydroxy-acetamide
CID 44283042
1-(3-Fluoro-phenyl)-3-(3-methylamino-propyl)-3,4-dihydro-1H-quinolin-2-one
CID 44404175
1-(4-Fluoro-phenyl)-3-(3-methylamino-propyl)-3,4-dihydro-1H-quinolin-2-one
CID 44404255
1-(3,4-Difluoro-phenyl)-3-methyl-3-(3-methylamino-propyl)-3,4-dihydro-1H-quinolin-2-one
CID 44404273
1-(3,5-Difluoro-phenyl)-3-methyl-3-(3-methylamino-propyl)-3,4-dihydro-1H-quinolin-2-one
CID 44404274
N-{1-[3-(7-Fluoro-2-oxo-3,4-dihydro-2H-quinolin-1-yl)-propyl]-piperidin-4-yl}-propionamide
CID 46930342
6-Amino-1-ethyl-1,2,3,4-tetrahydroquinolin-2-one
CID 43446541
N-[(4-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide
CID 3606278
[2-(aminomethyl)-1-phenylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 44454767
N-{1-[3-(6-Fluoro-2-oxo-3,4-dihydro-2H-quinolin-1-yl)-propyl]-piperidin-4-yl}-propionamide
CID 46930341

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide (CID 65496611) is 2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide is NC(=S)CC1(CN2C(=O)CCc3ccc(F)cc32)CC1.
What is the InChIKey of 2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide?
The InChIKey is PMGDADZMHHGRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c16-11-3-1-10-2-4-14(19)18(12(10)7-11)9-15(5-6-15)8-13(17)20/h1,3,7H,2,4-6,8-9H2,(H2,17,20).
What are the key properties of 2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide?
2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide has a molecular weight of 292.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65496611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).