N-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide

C23H20ClN3O2 — CID 78320872

IUPACN-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
SMILESCN1C(=O)CCc2cc(-c3cncc(CC(=O)Nc4cccc(Cl)c4)c3)ccc21
InChIInChI=1S/C23H20ClN3O2/c1-27-21-7-5-16(11-17(21)6-8-23(27)29)18-9-15(13-25-14-18)10-22(28)26-20-4-2-3-19(24)12-20/h2-5,7,9,11-14H,6,8,10H2,1H3,(H,26,28)
InChIKeyROAMWIZUESYNFI-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.49
Rot. Bonds4

About N-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide

N-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide (PubChem CID 78320872) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
PubChem CID78320872
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC NameN-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
SMILESCN1C(=O)CCc2cc(-c3cncc(CC(=O)Nc4cccc(Cl)c4)c3)ccc21
InChIInChI=1S/C23H20ClN3O2/c1-27-21-7-5-16(11-17(21)6-8-23(27)29)18-9-15(13-25-14-18)10-22(28)26-20-4-2-3-19(24)12-20/h2-5,7,9,11-14H,6,8,10H2,1H3,(H,26,28)
InChIKeyROAMWIZUESYNFI-UHFFFAOYSA-N
XLogP4.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide (CID 78320872) is N-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide is CN1C(=O)CCc2cc(-c3cncc(CC(=O)Nc4cccc(Cl)c4)c3)ccc21.
What is the InChIKey of N-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide?
The InChIKey is ROAMWIZUESYNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-27-21-7-5-16(11-17(21)6-8-23(27)29)18-9-15(13-25-14-18)10-22(28)26-20-4-2-3-19(24)12-20/h2-5,7,9,11-14H,6,8,10H2,1H3,(H,26,28).
What are the key properties of N-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide?
N-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide has a molecular weight of 405.89 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 78320872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).