N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide

C22H24N2O3 — CID 645622

IUPACN-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccc(C)cc1C
InChIInChI=1S/C22H24N2O3/c1-5-21(25)24(20-9-6-14(2)10-15(20)3)13-17-11-16-12-18(27-4)7-8-19(16)23-22(17)26/h6-12H,5,13H2,1-4H3,(H,23,26)
InChIKeyCKWSHQXUZCNIRR-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.10
Rot. Bonds5

About N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide

N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide (PubChem CID 645622) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
PubChem CID645622
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccc(C)cc1C
InChIInChI=1S/C22H24N2O3/c1-5-21(25)24(20-9-6-14(2)10-15(20)3)13-17-11-16-12-18(27-4)7-8-19(16)23-22(17)26/h6-12H,5,13H2,1-4H3,(H,23,26)
InChIKeyCKWSHQXUZCNIRR-UHFFFAOYSA-N
XLogP4.10
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide (CID 645622) is N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide is CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The InChIKey is CKWSHQXUZCNIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-5-21(25)24(20-9-6-14(2)10-15(20)3)13-17-11-16-12-18(27-4)7-8-19(16)23-22(17)26/h6-12H,5,13H2,1-4H3,(H,23,26).
What are the key properties of N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide has a molecular weight of 364.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide is sourced from PubChem (CID 645622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).