N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide

C25H24N4O2S — CID 5136979

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C25H24N4O2S/c30-25(27-17-23(24-9-5-15-32-24)29-11-13-31-14-12-29)19-16-22(21-8-3-4-10-26-21)28-20-7-2-1-6-18(19)20/h1-10,15-16,23H,11-14,17H2,(H,27,30)
InChIKeyACOAKUOXTNKEJD-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.16
Rot. Bonds6

About N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 5136979) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID5136979
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C25H24N4O2S/c30-25(27-17-23(24-9-5-15-32-24)29-11-13-31-14-12-29)19-16-22(21-8-3-4-10-26-21)28-20-7-2-1-6-18(19)20/h1-10,15-16,23H,11-14,17H2,(H,27,30)
InChIKeyACOAKUOXTNKEJD-UHFFFAOYSA-N
XLogP4.16
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2395138
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 24619664
2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide
CID 2381674
2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide
CID 134014842
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
2-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 167860438
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide
CID 40599644
N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 146025285
5-chloro-2-fluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18148637
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide
CID 39951261
2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 31419969

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 5136979) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide is O=C(NCC(c1cccs1)N1CCOCC1)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is ACOAKUOXTNKEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c30-25(27-17-23(24-9-5-15-32-24)29-11-13-31-14-12-29)19-16-22(21-8-3-4-10-26-21)28-20-7-2-1-6-18(19)20/h1-10,15-16,23H,11-14,17H2,(H,27,30).
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 5136979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).