N-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide

C21H20N2O3 — CID 39768166

IUPACN-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)Cn2c(=O)cc(C)c3cccc(C)c32)cc1
InChIInChI=1S/C21H20N2O3/c1-13-5-4-6-18-14(2)11-20(26)23(21(13)18)12-19(25)16-7-9-17(10-8-16)22-15(3)24/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyDDSWKMJQVQWWTA-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.46
Rot. Bonds4

About N-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide

N-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide (PubChem CID 39768166) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide
PubChem CID39768166
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)Cn2c(=O)cc(C)c3cccc(C)c32)cc1
InChIInChI=1S/C21H20N2O3/c1-13-5-4-6-18-14(2)11-20(26)23(21(13)18)12-19(25)16-7-9-17(10-8-16)22-15(3)24/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyDDSWKMJQVQWWTA-UHFFFAOYSA-N
XLogP3.46
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 4342
CID 4342
CID 7031
CID 7031
CID 10201696
CID 10201696
CID 13086
CID 13086
CID 119369
CID 119369
CID 87935
CID 87935
CID 71417
CID 71417
CID 66663
CID 66663
CID 219020
CID 219020
CID 4858
CID 4858
CID 3994
CID 3994
CID 15649435
CID 15649435

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide (CID 39768166) is N-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)Cn2c(=O)cc(C)c3cccc(C)c32)cc1.
What is the InChIKey of N-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide?
The InChIKey is DDSWKMJQVQWWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-13-5-4-6-18-14(2)11-20(26)23(21(13)18)12-19(25)16-7-9-17(10-8-16)22-15(3)24/h4-11H,12H2,1-3H3,(H,22,24).
What are the key properties of N-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide?
N-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide has a molecular weight of 348.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide is sourced from PubChem (CID 39768166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).