N-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

C18H11FN2O2S — CID 4187106

IUPACN-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2c(=O)[nH]c3ccccc3c2s1
InChIInChI=1S/C18H11FN2O2S/c19-10-5-7-11(8-6-10)20-18(23)15-9-13-16(24-15)12-3-1-2-4-14(12)21-17(13)22/h1-9H,(H,20,23)(H,21,22)
InChIKeyKIHYTTNOLRAZTC-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.13
Rot. Bonds2

About N-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

N-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 4187106) has the molecular formula C18H11FN2O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
PubChem CID4187106
Molecular FormulaC18H11FN2O2S
Molecular Weight338.36 g/mol
Exact Mass338.05
IUPAC NameN-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2c(=O)[nH]c3ccccc3c2s1
InChIInChI=1S/C18H11FN2O2S/c19-10-5-7-11(8-6-10)20-18(23)15-9-13-16(24-15)12-3-1-2-4-14(12)21-17(13)22/h1-9H,(H,20,23)(H,21,22)
InChIKeyKIHYTTNOLRAZTC-UHFFFAOYSA-N
XLogP4.13
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(azepan-1-yl)propyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20857481
N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 939900
N-[3-[(4-fluorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 960351
Thiophene-2-carboxylic acid [3-(4-fluoro-benzoylamino)-4-methyl-phenyl]-amide
CID 1432986
N-(3-Methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 5147248
8-methyl-4-oxo-N,N-dipropyl-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 6620052
8-Methyl-N-(3-methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 6622788
5-ethyl-N-isopropyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 16193902
N-(2-methoxyethyl)-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 20855952
5-Ethyl-N-(3-methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 20865361
N,5-diphenylthiophene-2-carboxamide
CID 3746437
5-Methyl-N-[3-(4-methylpiperazin-1-YL)propyl]-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 5307923

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (CID 4187106) is N-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is O=C(Nc1ccc(F)cc1)c1cc2c(=O)[nH]c3ccccc3c2s1.
What is the InChIKey of N-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is KIHYTTNOLRAZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2S/c19-10-5-7-11(8-6-10)20-18(23)15-9-13-16(24-15)12-3-1-2-4-14(12)21-17(13)22/h1-9H,(H,20,23)(H,21,22).
What are the key properties of N-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
N-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 4187106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).