2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide

C23H20N4O — CID 113021762

IUPAC2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3cccc4cccnc34)nc2)c1
InChIInChI=1S/C23H20N4O/c1-16-5-2-6-17(13-16)14-22(28)26-19-10-11-21(25-15-19)27-20-9-3-7-18-8-4-12-24-23(18)20/h2-13,15H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyWANCRYSDCGYFAG-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.86
Rot. Bonds5

About 2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide

2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide (PubChem CID 113021762) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide
PubChem CID113021762
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3cccc4cccnc34)nc2)c1
InChIInChI=1S/C23H20N4O/c1-16-5-2-6-17(13-16)14-22(28)26-19-10-11-21(25-15-19)27-20-9-3-7-18-8-4-12-24-23(18)20/h2-13,15H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyWANCRYSDCGYFAG-UHFFFAOYSA-N
XLogP4.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(quinolin-8-ylamino)-3-pyridinyl]propanamide
CID 113021717
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018452
N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022692
N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113019533
N-[6-(4-ethylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113017495
N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022187
N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018155
2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
CID 113050401
N-[6-(quinolin-8-ylamino)-3-pyridinyl]furan-2-carboxamide
CID 113021727
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113016876

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide (CID 113021762) is 2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide is Cc1cccc(CC(=O)Nc2ccc(Nc3cccc4cccnc34)nc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide?
The InChIKey is WANCRYSDCGYFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-16-5-2-6-17(13-16)14-22(28)26-19-10-11-21(25-15-19)27-20-9-3-7-18-8-4-12-24-23(18)20/h2-13,15H,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide?
2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113021762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).