N-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide

C19H18N2O3 — CID 54686494

IUPACN-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(O)c3ccccc3[nH]c2=O)c(C)c1
InChIInChI=1S/C19H18N2O3/c1-11-7-8-15(12(2)9-11)20-17(22)10-14-18(23)13-5-3-4-6-16(13)21-19(14)24/h3-9H,10H2,1-2H3,(H,20,22)(H2,21,23,24)
InChIKeyNKNDSSKIUXUHPK-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.03
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide

N-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide (PubChem CID 54686494) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
PubChem CID54686494
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(O)c3ccccc3[nH]c2=O)c(C)c1
InChIInChI=1S/C19H18N2O3/c1-11-7-8-15(12(2)9-11)20-17(22)10-14-18(23)13-5-3-4-6-16(13)21-19(14)24/h3-9H,10H2,1-2H3,(H,20,22)(H2,21,23,24)
InChIKeyNKNDSSKIUXUHPK-UHFFFAOYSA-N
XLogP3.03
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide (CID 54686494) is N-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide is Cc1ccc(NC(=O)Cc2c(O)c3ccccc3[nH]c2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide?
The InChIKey is NKNDSSKIUXUHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-11-7-8-15(12(2)9-11)20-17(22)10-14-18(23)13-5-3-4-6-16(13)21-19(14)24/h3-9H,10H2,1-2H3,(H,20,22)(H2,21,23,24).
What are the key properties of N-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide?
N-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide has a molecular weight of 322.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide is sourced from PubChem (CID 54686494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).