4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide

C22H23N3O2 — CID 10406295

IUPAC4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide
SMILESCC1CN(c2ccc(C(=O)Nc3cnc4ccccc4c3)cc2)CC(C)O1
InChIInChI=1S/C22H23N3O2/c1-15-13-25(14-16(2)27-15)20-9-7-17(8-10-20)22(26)24-19-11-18-5-3-4-6-21(18)23-12-19/h3-12,15-16H,13-14H2,1-2H3,(H,24,26)
InChIKeyPGKQFORGEUPOKY-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.10
Rot. Bonds3

About 4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide

4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide (PubChem CID 10406295) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide
PubChem CID10406295
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide
SMILESCC1CN(c2ccc(C(=O)Nc3cnc4ccccc4c3)cc2)CC(C)O1
InChIInChI=1S/C22H23N3O2/c1-15-13-25(14-16(2)27-15)20-9-7-17(8-10-20)22(26)24-19-11-18-5-3-4-6-21(18)23-12-19/h3-12,15-16H,13-14H2,1-2H3,(H,24,26)
InChIKeyPGKQFORGEUPOKY-UHFFFAOYSA-N
XLogP4.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-N-quinolin-3-ylbenzamide
CID 66815489
4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide
CID 66815608
4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide
CID 66815466
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
2,6-dimethyl-4-quinolin-3-ylmorpholine
CID 135233182
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 66816166
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2H-benzotriazole-5-carboxamide
CID 52512892
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine
CID 99788867
N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 59826586
4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
CID 66815675
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide (CID 10406295) is 4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide is CC1CN(c2ccc(C(=O)Nc3cnc4ccccc4c3)cc2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide?
The InChIKey is PGKQFORGEUPOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-13-25(14-16(2)27-15)20-9-7-17(8-10-20)22(26)24-19-11-18-5-3-4-6-21(18)23-12-19/h3-12,15-16H,13-14H2,1-2H3,(H,24,26).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide?
4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 10406295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).