2-(3-methoxyquinolin-6-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide

C25H23N3O2 — CID 67307936

IUPAC2-(3-methoxyquinolin-6-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCOc1cnc2ccc(C(C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)cc2c1
InChIInChI=1S/C25H23N3O2/c1-16-12-20(10-11-26-16)18-4-7-22(8-5-18)28-25(29)17(2)19-6-9-24-21(13-19)14-23(30-3)15-27-24/h4-15,17H,1-3H3,(H,28,29)
InChIKeyBFJALZDQANHXAX-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.36
Rot. Bonds5

About 2-(3-methoxyquinolin-6-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide

2-(3-methoxyquinolin-6-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (PubChem CID 67307936) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(3-methoxyquinolin-6-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-methoxyquinolin-6-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
PubChem CID67307936
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name2-(3-methoxyquinolin-6-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCOc1cnc2ccc(C(C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)cc2c1
InChIInChI=1S/C25H23N3O2/c1-16-12-20(10-11-26-16)18-4-7-22(8-5-18)28-25(29)17(2)19-6-9-24-21(13-19)14-23(30-3)15-27-24/h4-15,17H,1-3H3,(H,28,29)
InChIKeyBFJALZDQANHXAX-UHFFFAOYSA-N
XLogP5.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyquinolin-6-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The IUPAC name of 2-(3-methoxyquinolin-6-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (CID 67307936) is 2-(3-methoxyquinolin-6-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-methoxyquinolin-6-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The canonical SMILES for 2-(3-methoxyquinolin-6-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is COc1cnc2ccc(C(C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)cc2c1.
What is the InChIKey of 2-(3-methoxyquinolin-6-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The InChIKey is BFJALZDQANHXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-16-12-20(10-11-26-16)18-4-7-22(8-5-18)28-25(29)17(2)19-6-9-24-21(13-19)14-23(30-3)15-27-24/h4-15,17H,1-3H3,(H,28,29).
What are the key properties of 2-(3-methoxyquinolin-6-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
2-(3-methoxyquinolin-6-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide has a molecular weight of 397.48 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyquinolin-6-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is sourced from PubChem (CID 67307936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).