[6-methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone

C22H22N2O2 — CID 698716

IUPAC[6-methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C22H22N2O2/c1-15-3-6-17(7-4-15)21-14-19(22(25)24-9-11-26-12-10-24)18-13-16(2)5-8-20(18)23-21/h3-8,13-14H,9-12H2,1-2H3
InChIKeySOYSVYYJRNSDEN-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.99
Rot. Bonds2

About [6-methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone

[6-methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 698716) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is [6-methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID698716
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name[6-methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C22H22N2O2/c1-15-3-6-17(7-4-15)21-14-19(22(25)24-9-11-26-12-10-24)18-13-16(2)5-8-20(18)23-21/h3-8,13-14H,9-12H2,1-2H3
InChIKeySOYSVYYJRNSDEN-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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Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone (CID 698716) is [6-methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone is Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(C)ccc3n2)cc1.
What is the InChIKey of [6-methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is SOYSVYYJRNSDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-3-6-17(7-4-15)21-14-19(22(25)24-9-11-26-12-10-24)18-13-16(2)5-8-20(18)23-21/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [6-methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
[6-methyl-2-(4-methylphenyl)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 [6-methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 698716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).