5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide

C24H21N3O2S — CID 9291462

IUPAC5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C24H21N3O2S/c28-23(26-20-10-4-8-18-9-5-11-25-22(18)20)21-16-19(17-6-2-1-3-7-17)24(30-21)27-12-14-29-15-13-27/h1-11,16H,12-15H2,(H,26,28)
InChIKeyDMXILSMWVXPOCM-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.05
Rot. Bonds4

About 5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide

5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide (PubChem CID 9291462) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide
PubChem CID9291462
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C24H21N3O2S/c28-23(26-20-10-4-8-18-9-5-11-25-22(18)20)21-16-19(17-6-2-1-3-7-17)24(30-21)27-12-14-29-15-13-27/h1-11,16H,12-15H2,(H,26,28)
InChIKeyDMXILSMWVXPOCM-UHFFFAOYSA-N
XLogP5.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide?
The IUPAC name of 5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide (CID 9291462) is 5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide?
The canonical SMILES for 5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide is O=C(Nc1cccc2cccnc12)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of 5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide?
The InChIKey is DMXILSMWVXPOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c28-23(26-20-10-4-8-18-9-5-11-25-22(18)20)21-16-19(17-6-2-1-3-7-17)24(30-21)27-12-14-29-15-13-27/h1-11,16H,12-15H2,(H,26,28).
What are the key properties of 5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide?
5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide is sourced from PubChem (CID 9291462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).