2-morpholin-4-yl-N-phenylquinoline-4-carboxamide

C20H19N3O2 — CID 659782

IUPAC2-morpholin-4-yl-N-phenylquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(N2CCOCC2)nc2ccccc12
InChIInChI=1S/C20H19N3O2/c24-20(21-15-6-2-1-3-7-15)17-14-19(23-10-12-25-13-11-23)22-18-9-5-4-8-16(17)18/h1-9,14H,10-13H2,(H,21,24)
InChIKeyUSXSHQGISSQBQP-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.32
Rot. Bonds3

About 2-morpholin-4-yl-N-phenylquinoline-4-carboxamide

2-morpholin-4-yl-N-phenylquinoline-4-carboxamide (PubChem CID 659782) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-phenylquinoline-4-carboxamide
PubChem CID659782
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-morpholin-4-yl-N-phenylquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(N2CCOCC2)nc2ccccc12
InChIInChI=1S/C20H19N3O2/c24-20(21-15-6-2-1-3-7-15)17-14-19(23-10-12-25-13-11-23)22-18-9-5-4-8-16(17)18/h1-9,14H,10-13H2,(H,21,24)
InChIKeyUSXSHQGISSQBQP-UHFFFAOYSA-N
XLogP3.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-phenylquinoline-4-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-phenylquinoline-4-carboxamide (CID 659782) is 2-morpholin-4-yl-N-phenylquinoline-4-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-phenylquinoline-4-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-phenylquinoline-4-carboxamide is O=C(Nc1ccccc1)c1cc(N2CCOCC2)nc2ccccc12.
What is the InChIKey of 2-morpholin-4-yl-N-phenylquinoline-4-carboxamide?
The InChIKey is USXSHQGISSQBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(21-15-6-2-1-3-7-15)17-14-19(23-10-12-25-13-11-23)22-18-9-5-4-8-16(17)18/h1-9,14H,10-13H2,(H,21,24).
What are the key properties of 2-morpholin-4-yl-N-phenylquinoline-4-carboxamide?
2-morpholin-4-yl-N-phenylquinoline-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-phenylquinoline-4-carboxamide is sourced from PubChem (CID 659782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).