2-(3-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide

C24H21N3O2 — CID 1352003

IUPAC2-(3-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCCOc1cccc(-c2cc(C(=O)Nc3cc(C)ccn3)c3ccccc3n2)c1
InChIInChI=1S/C24H21N3O2/c1-3-29-18-8-6-7-17(14-18)22-15-20(19-9-4-5-10-21(19)26-22)24(28)27-23-13-16(2)11-12-25-23/h4-15H,3H2,1-2H3,(H,25,27,28)
InChIKeyMGOPOBJLYSZZBZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.26
Rot. Bonds5

About 2-(3-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide

2-(3-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide (PubChem CID 1352003) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
PubChem CID1352003
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-(3-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCCOc1cccc(-c2cc(C(=O)Nc3cc(C)ccn3)c3ccccc3n2)c1
InChIInChI=1S/C24H21N3O2/c1-3-29-18-8-6-7-17(14-18)22-15-20(19-9-4-5-10-21(19)26-22)24(28)27-23-13-16(2)11-12-25-23/h4-15H,3H2,1-2H3,(H,25,27,28)
InChIKeyMGOPOBJLYSZZBZ-UHFFFAOYSA-N
XLogP5.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide (CID 1352003) is 2-(3-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide is CCOc1cccc(-c2cc(C(=O)Nc3cc(C)ccn3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide?
The InChIKey is MGOPOBJLYSZZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-3-29-18-8-6-7-17(14-18)22-15-20(19-9-4-5-10-21(19)26-22)24(28)27-23-13-16(2)11-12-25-23/h4-15H,3H2,1-2H3,(H,25,27,28).
What are the key properties of 2-(3-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide?
2-(3-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide is sourced from PubChem (CID 1352003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).