2-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide

C24H27N3O4 — CID 1220321

IUPAC2-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C24H27N3O4/c1-29-17-7-8-19(23(15-17)30-2)22-16-20(18-5-3-4-6-21(18)26-22)24(28)25-9-10-27-11-13-31-14-12-27/h3-8,15-16H,9-14H2,1-2H3,(H,25,28)
InChIKeyRJGBHGHOJQCKGP-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.98
Rot. Bonds7

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

2-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide (PubChem CID 1220321) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
PubChem CID1220321
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C24H27N3O4/c1-29-17-7-8-19(23(15-17)30-2)22-16-20(18-5-3-4-6-21(18)26-22)24(28)25-9-10-27-11-13-31-14-12-27/h3-8,15-16H,9-14H2,1-2H3,(H,25,28)
InChIKeyRJGBHGHOJQCKGP-UHFFFAOYSA-N
XLogP2.98
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide (CID 1220321) is 2-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The InChIKey is RJGBHGHOJQCKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-29-17-7-8-19(23(15-17)30-2)22-16-20(18-5-3-4-6-21(18)26-22)24(28)25-9-10-27-11-13-31-14-12-27/h3-8,15-16H,9-14H2,1-2H3,(H,25,28).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
2-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 1220321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).