2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide

C28H27N3O4 — CID 2105343

IUPAC2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccccc3N3CCOCC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C28H27N3O4/c1-33-26-12-11-19(17-27(26)34-2)24-18-21(20-7-3-4-8-22(20)29-24)28(32)30-23-9-5-6-10-25(23)31-13-15-35-16-14-31/h3-12,17-18H,13-16H2,1-2H3,(H,30,32)
InChIKeyQDQAPUVJZKRHGF-UHFFFAOYSA-N
MW469.54 g/mol
LogP5.01
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide (PubChem CID 2105343) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide
PubChem CID2105343
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccccc3N3CCOCC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C28H27N3O4/c1-33-26-12-11-19(17-27(26)34-2)24-18-21(20-7-3-4-8-22(20)29-24)28(32)30-23-9-5-6-10-25(23)31-13-15-35-16-14-31/h3-12,17-18H,13-16H2,1-2H3,(H,30,32)
InChIKeyQDQAPUVJZKRHGF-UHFFFAOYSA-N
XLogP5.01
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide (CID 2105343) is 2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccccc3N3CCOCC3)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide?
The InChIKey is QDQAPUVJZKRHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-33-26-12-11-19(17-27(26)34-2)24-18-21(20-7-3-4-8-22(20)29-24)28(32)30-23-9-5-6-10-25(23)31-13-15-35-16-14-31/h3-12,17-18H,13-16H2,1-2H3,(H,30,32).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2105343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).