N-morpholin-4-yl-2-thiophen-2-ylquinoline-4-carboxamide

C18H17N3O2S — CID 773761

IUPACN-morpholin-4-yl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NN1CCOCC1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H17N3O2S/c22-18(20-21-7-9-23-10-8-21)14-12-16(17-6-3-11-24-17)19-15-5-2-1-4-13(14)15/h1-6,11-12H,7-10H2,(H,20,22)
InChIKeyWNQVDJZNIWVZNO-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.94
Rot. Bonds3

About N-morpholin-4-yl-2-thiophen-2-ylquinoline-4-carboxamide

N-morpholin-4-yl-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 773761) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-morpholin-4-yl-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-morpholin-4-yl-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID773761
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-morpholin-4-yl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NN1CCOCC1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H17N3O2S/c22-18(20-21-7-9-23-10-8-21)14-12-16(17-6-3-11-24-17)19-15-5-2-1-4-13(14)15/h1-6,11-12H,7-10H2,(H,20,22)
InChIKeyWNQVDJZNIWVZNO-UHFFFAOYSA-N
XLogP2.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-morpholin-4-yl-2-thiophen-2-ylquinoline-4-carboxamide (CID 773761) is N-morpholin-4-yl-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-morpholin-4-yl-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-morpholin-4-yl-2-thiophen-2-ylquinoline-4-carboxamide is O=C(NN1CCOCC1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-morpholin-4-yl-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is WNQVDJZNIWVZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-18(20-21-7-9-23-10-8-21)14-12-16(17-6-3-11-24-17)19-15-5-2-1-4-13(14)15/h1-6,11-12H,7-10H2,(H,20,22).
What are the key properties of N-morpholin-4-yl-2-thiophen-2-ylquinoline-4-carboxamide?
N-morpholin-4-yl-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 773761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).