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

C22H22N2O2 — CID 899152

IUPAC[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)c1
InChIInChI=1S/C22H22N2O2/c1-15-7-8-16(2)18(13-15)21-14-19(17-5-3-4-6-20(17)23-21)22(25)24-9-11-26-12-10-24/h3-8,13-14H,9-12H2,1-2H3
InChIKeyNDDDEKGEJNMNDD-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.99
Rot. Bonds2

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

[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 899152) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID899152
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)c1
InChIInChI=1S/C22H22N2O2/c1-15-7-8-16(2)18(13-15)21-14-19(17-5-3-4-6-20(17)23-21)22(25)24-9-11-26-12-10-24/h3-8,13-14H,9-12H2,1-2H3
InChIKeyNDDDEKGEJNMNDD-UHFFFAOYSA-N
XLogP3.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chlorophenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42749654
2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
CID 55545860
[4-[2-(2-methylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
CID 3532742
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 35330401
[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 1261463
[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560497
(4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119373566
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 62968729
[2-(2,3-dihydrofuran-5-yl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 71027528
(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone
CID 62967322
[1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55950320

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone (CID 899152) is [2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone is Cc1ccc(C)c(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is NDDDEKGEJNMNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-7-8-16(2)18(13-15)21-14-19(17-5-3-4-6-20(17)23-21)22(25)24-9-11-26-12-10-24/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 346.43 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 899152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).