N-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C20H17FN2O2S — CID 138992300

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCCc2csc3ccccc23)c2ccc(F)cc2N1
InChIInChI=1S/C20H17FN2O2S/c21-13-5-6-15-16(10-19(24)23-17(15)9-13)20(25)22-8-7-12-11-26-18-4-2-1-3-14(12)18/h1-6,9,11,16H,7-8,10H2,(H,22,25)(H,23,24)
InChIKeyLVJKCNKRPTXXRR-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.83
Rot. Bonds4

About N-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 138992300) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID138992300
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCCc2csc3ccccc23)c2ccc(F)cc2N1
InChIInChI=1S/C20H17FN2O2S/c21-13-5-6-15-16(10-19(24)23-17(15)9-13)20(25)22-8-7-12-11-26-18-4-2-1-3-14(12)18/h1-6,9,11,16H,7-8,10H2,(H,22,25)(H,23,24)
InChIKeyLVJKCNKRPTXXRR-UHFFFAOYSA-N
XLogP3.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 138992300) is N-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NCCc2csc3ccccc23)c2ccc(F)cc2N1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is LVJKCNKRPTXXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c21-13-5-6-15-16(10-19(24)23-17(15)9-13)20(25)22-8-7-12-11-26-18-4-2-1-3-14(12)18/h1-6,9,11,16H,7-8,10H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 138992300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).