[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone

C22H22N2O4 — CID 35330401

IUPAC[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)c1
InChIInChI=1S/C22H22N2O4/c1-26-15-7-8-21(27-2)18(13-15)20-14-17(16-5-3-4-6-19(16)23-20)22(25)24-9-11-28-12-10-24/h3-8,13-14H,9-12H2,1-2H3
InChIKeyQTQMSGKJUORRDM-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.39
Rot. Bonds4

About [2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone

[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 35330401) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID35330401
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)c1
InChIInChI=1S/C22H22N2O4/c1-26-15-7-8-21(27-2)18(13-15)20-14-17(16-5-3-4-6-19(16)23-20)22(25)24-9-11-28-12-10-24/h3-8,13-14H,9-12H2,1-2H3
InChIKeyQTQMSGKJUORRDM-UHFFFAOYSA-N
XLogP3.39
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 35330467
[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 899152
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42750037
(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone
CID 62967322
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066
2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 1225611
[2-(3-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4256561
[6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 2965405
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
[2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 1023123
[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 1261463
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 42749995

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone (CID 35330401) is [2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone is COc1ccc(OC)c(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is QTQMSGKJUORRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-15-7-8-21(27-2)18(13-15)20-14-17(16-5-3-4-6-19(16)23-20)22(25)24-9-11-28-12-10-24/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 378.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 35330401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).