N-(4-quinolin-8-yloxyphenyl)thiophene-2-carboxamide

C20H14N2O2S — CID 2741946

IUPACN-(4-quinolin-8-yloxyphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc3cccnc23)cc1)c1cccs1
InChIInChI=1S/C20H14N2O2S/c23-20(18-7-3-13-25-18)22-15-8-10-16(11-9-15)24-17-6-1-4-14-5-2-12-21-19(14)17/h1-13H,(H,22,23)
InChIKeyNSBOXGGQVZNXML-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.34
Rot. Bonds4

About N-(4-quinolin-8-yloxyphenyl)thiophene-2-carboxamide

N-(4-quinolin-8-yloxyphenyl)thiophene-2-carboxamide (PubChem CID 2741946) has the molecular formula C20H14N2O2S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(4-quinolin-8-yloxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-quinolin-8-yloxyphenyl)thiophene-2-carboxamide
PubChem CID2741946
Molecular FormulaC20H14N2O2S
Molecular Weight346.41 g/mol
Exact Mass346.08
IUPAC NameN-(4-quinolin-8-yloxyphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc3cccnc23)cc1)c1cccs1
InChIInChI=1S/C20H14N2O2S/c23-20(18-7-3-13-25-18)22-15-8-10-16(11-9-15)24-17-6-1-4-14-5-2-12-21-19(14)17/h1-13H,(H,22,23)
InChIKeyNSBOXGGQVZNXML-UHFFFAOYSA-N
XLogP5.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-quinolin-8-yloxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-quinolin-8-yloxyphenyl)thiophene-2-carboxamide (CID 2741946) is N-(4-quinolin-8-yloxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-quinolin-8-yloxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-quinolin-8-yloxyphenyl)thiophene-2-carboxamide is O=C(Nc1ccc(Oc2cccc3cccnc23)cc1)c1cccs1.
What is the InChIKey of N-(4-quinolin-8-yloxyphenyl)thiophene-2-carboxamide?
The InChIKey is NSBOXGGQVZNXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S/c23-20(18-7-3-13-25-18)22-15-8-10-16(11-9-15)24-17-6-1-4-14-5-2-12-21-19(14)17/h1-13H,(H,22,23).
What are the key properties of N-(4-quinolin-8-yloxyphenyl)thiophene-2-carboxamide?
N-(4-quinolin-8-yloxyphenyl)thiophene-2-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-quinolin-8-yloxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2741946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).