3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide

C23H20N4O — CID 165401170

IUPAC3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide
SMILESCc1ccc(-c2ccc(/N=C(\N)c3[nH]c4ccccc4c(=O)c3C)nc2)cc1
InChIInChI=1S/C23H20N4O/c1-14-7-9-16(10-8-14)17-11-12-20(25-13-17)27-23(24)21-15(2)22(28)18-5-3-4-6-19(18)26-21/h3-13H,1-2H3,(H,26,28)(H2,24,25,27)
InChIKeyPNXMJYFJIQKBRL-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.24
Rot. Bonds3

About 3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide

3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide (PubChem CID 165401170) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide
PubChem CID165401170
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide
SMILESCc1ccc(-c2ccc(/N=C(\N)c3[nH]c4ccccc4c(=O)c3C)nc2)cc1
InChIInChI=1S/C23H20N4O/c1-14-7-9-16(10-8-14)17-11-12-20(25-13-17)27-23(24)21-15(2)22(28)18-5-3-4-6-19(18)26-21/h3-13H,1-2H3,(H,26,28)(H2,24,25,27)
InChIKeyPNXMJYFJIQKBRL-UHFFFAOYSA-N
XLogP4.24
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide 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 3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide?
The IUPAC name of 3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide (CID 165401170) is 3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide.
What is the SMILES notation for 3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide?
The canonical SMILES for 3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide is Cc1ccc(-c2ccc(/N=C(\N)c3[nH]c4ccccc4c(=O)c3C)nc2)cc1.
What is the InChIKey of 3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide?
The InChIKey is PNXMJYFJIQKBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-14-7-9-16(10-8-14)17-11-12-20(25-13-17)27-23(24)21-15(2)22(28)18-5-3-4-6-19(18)26-21/h3-13H,1-2H3,(H,26,28)(H2,24,25,27).
What are the key properties of 3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide?
3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide has a molecular weight of 368.44 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide is sourced from PubChem (CID 165401170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).