N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide

C22H24N2O2 — CID 855653

IUPACN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C22H24N2O2/c1-15-9-10-19-13-20(22(26)23-21(19)16(15)2)14-24(17(3)25)12-11-18-7-5-4-6-8-18/h4-10,13H,11-12,14H2,1-3H3,(H,23,26)
InChIKeyYDWZQDCTRDSITO-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.74
Rot. Bonds5

About N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 855653) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
PubChem CID855653
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C22H24N2O2/c1-15-9-10-19-13-20(22(26)23-21(19)16(15)2)14-24(17(3)25)12-11-18-7-5-4-6-8-18/h4-10,13H,11-12,14H2,1-3H3,(H,23,26)
InChIKeyYDWZQDCTRDSITO-UHFFFAOYSA-N
XLogP3.74
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide (CID 855653) is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide is CC(=O)N(CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O.
What is the InChIKey of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide?
The InChIKey is YDWZQDCTRDSITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-9-10-19-13-20(22(26)23-21(19)16(15)2)14-24(17(3)25)12-11-18-7-5-4-6-8-18/h4-10,13H,11-12,14H2,1-3H3,(H,23,26).
What are the key properties of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide?
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 855653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).