phenyl N-(2-thiophen-2-ylquinolin-4-yl)carbamate

C20H14N2O2S — CID 54068407

IUPACphenyl N-(2-thiophen-2-ylquinolin-4-yl)carbamate
SMILESO=C(Nc1cc(-c2cccs2)nc2ccccc12)Oc1ccccc1
InChIInChI=1S/C20H14N2O2S/c23-20(24-14-7-2-1-3-8-14)22-17-13-18(19-11-6-12-25-19)21-16-10-5-4-9-15(16)17/h1-13H,(H,21,22,23)
InChIKeyMEROSQNNJQTXCK-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.57
Rot. Bonds3

About phenyl N-(2-thiophen-2-ylquinolin-4-yl)carbamate

phenyl N-(2-thiophen-2-ylquinolin-4-yl)carbamate (PubChem CID 54068407) has the molecular formula C20H14N2O2S and a molecular weight of 346.41 g/mol. Its IUPAC name is phenyl N-(2-thiophen-2-ylquinolin-4-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(2-thiophen-2-ylquinolin-4-yl)carbamate
PubChem CID54068407
Molecular FormulaC20H14N2O2S
Molecular Weight346.41 g/mol
Exact Mass346.08
IUPAC Namephenyl N-(2-thiophen-2-ylquinolin-4-yl)carbamate
SMILESO=C(Nc1cc(-c2cccs2)nc2ccccc12)Oc1ccccc1
InChIInChI=1S/C20H14N2O2S/c23-20(24-14-7-2-1-3-8-14)22-17-13-18(19-11-6-12-25-19)21-16-10-5-4-9-15(16)17/h1-13H,(H,21,22,23)
InChIKeyMEROSQNNJQTXCK-UHFFFAOYSA-N
XLogP5.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 18268811
N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
4-phenyl-2-thiophen-2-ylquinoline
CID 8966250
methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 1261711
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2340923
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55800284

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-thiophen-2-ylquinolin-4-yl)carbamate?
The IUPAC name of phenyl N-(2-thiophen-2-ylquinolin-4-yl)carbamate (CID 54068407) is phenyl N-(2-thiophen-2-ylquinolin-4-yl)carbamate.
What is the SMILES notation for phenyl N-(2-thiophen-2-ylquinolin-4-yl)carbamate?
The canonical SMILES for phenyl N-(2-thiophen-2-ylquinolin-4-yl)carbamate is O=C(Nc1cc(-c2cccs2)nc2ccccc12)Oc1ccccc1.
What is the InChIKey of phenyl N-(2-thiophen-2-ylquinolin-4-yl)carbamate?
The InChIKey is MEROSQNNJQTXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S/c23-20(24-14-7-2-1-3-8-14)22-17-13-18(19-11-6-12-25-19)21-16-10-5-4-9-15(16)17/h1-13H,(H,21,22,23).
What are the key properties of phenyl N-(2-thiophen-2-ylquinolin-4-yl)carbamate?
phenyl N-(2-thiophen-2-ylquinolin-4-yl)carbamate has a molecular weight of 346.41 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-thiophen-2-ylquinolin-4-yl)carbamate is sourced from PubChem (CID 54068407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).