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

C22H24N2O2 — CID 942741

IUPACN-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
SMILESCc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)C(C)C)c(C)c1
InChIInChI=1S/C22H24N2O2/c1-14(2)22(26)24(20-10-9-15(3)11-16(20)4)13-17-12-21(25)23-19-8-6-5-7-18(17)19/h5-12,14H,13H2,1-4H3,(H,23,25)
InChIKeyUQQIAGUAPYYAPZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.33
Rot. Bonds4

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

N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide (PubChem CID 942741) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
PubChem CID942741
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
SMILESCc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)C(C)C)c(C)c1
InChIInChI=1S/C22H24N2O2/c1-14(2)22(26)24(20-10-9-15(3)11-16(20)4)13-17-12-21(25)23-19-8-6-5-7-18(17)19/h5-12,14H,13H2,1-4H3,(H,23,25)
InChIKeyUQQIAGUAPYYAPZ-UHFFFAOYSA-N
XLogP4.33
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide (CID 942741) is N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide is Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)C(C)C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The InChIKey is UQQIAGUAPYYAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-14(2)22(26)24(20-10-9-15(3)11-16(20)4)13-17-12-21(25)23-19-8-6-5-7-18(17)19/h5-12,14H,13H2,1-4H3,(H,23,25).
What are the key properties of N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide has a molecular weight of 348.45 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide is sourced from PubChem (CID 942741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).