2-morpholin-4-yl-N-quinolin-8-ylbenzamide

C20H19N3O2 — CID 48982857

IUPAC2-morpholin-4-yl-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1ccccc1N1CCOCC1
InChIInChI=1S/C20H19N3O2/c24-20(22-17-8-3-5-15-6-4-10-21-19(15)17)16-7-1-2-9-18(16)23-11-13-25-14-12-23/h1-10H,11-14H2,(H,22,24)
InChIKeyPJTJOAUEQQPGJI-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.32
Rot. Bonds3

About 2-morpholin-4-yl-N-quinolin-8-ylbenzamide

2-morpholin-4-yl-N-quinolin-8-ylbenzamide (PubChem CID 48982857) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-quinolin-8-ylbenzamide
PubChem CID48982857
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-morpholin-4-yl-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1ccccc1N1CCOCC1
InChIInChI=1S/C20H19N3O2/c24-20(22-17-8-3-5-15-6-4-10-21-19(15)17)16-7-1-2-9-18(16)23-11-13-25-14-12-23/h1-10H,11-14H2,(H,22,24)
InChIKeyPJTJOAUEQQPGJI-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-quinolin-8-ylbenzamide?
The IUPAC name of 2-morpholin-4-yl-N-quinolin-8-ylbenzamide (CID 48982857) is 2-morpholin-4-yl-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 2-morpholin-4-yl-N-quinolin-8-ylbenzamide?
The canonical SMILES for 2-morpholin-4-yl-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1ccccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-quinolin-8-ylbenzamide?
The InChIKey is PJTJOAUEQQPGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(22-17-8-3-5-15-6-4-10-21-19(15)17)16-7-1-2-9-18(16)23-11-13-25-14-12-23/h1-10H,11-14H2,(H,22,24).
What are the key properties of 2-morpholin-4-yl-N-quinolin-8-ylbenzamide?
2-morpholin-4-yl-N-quinolin-8-ylbenzamide 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-quinolin-8-ylbenzamide is sourced from PubChem (CID 48982857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).