2-morpholin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

C17H16N4O2S — CID 3000167

IUPAC2-morpholin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(N2CCOCC2)nc2ccccc12
InChIInChI=1S/C17H16N4O2S/c22-16(20-17-18-5-10-24-17)13-11-15(21-6-8-23-9-7-21)19-14-4-2-1-3-12(13)14/h1-5,10-11H,6-9H2,(H,18,20,22)
InChIKeySJLBRSASZYCGKR-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.78
Rot. Bonds3

About 2-morpholin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

2-morpholin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 3000167) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID3000167
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-morpholin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(N2CCOCC2)nc2ccccc12
InChIInChI=1S/C17H16N4O2S/c22-16(20-17-18-5-10-24-17)13-11-15(21-6-8-23-9-7-21)19-14-4-2-1-3-12(13)14/h1-5,10-11H,6-9H2,(H,18,20,22)
InChIKeySJLBRSASZYCGKR-UHFFFAOYSA-N
XLogP2.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 3000167) is 2-morpholin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nccs1)c1cc(N2CCOCC2)nc2ccccc12.
What is the InChIKey of 2-morpholin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is SJLBRSASZYCGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-16(20-17-18-5-10-24-17)13-11-15(21-6-8-23-9-7-21)19-14-4-2-1-3-12(13)14/h1-5,10-11H,6-9H2,(H,18,20,22).
What are the key properties of 2-morpholin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-morpholin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 3000167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).