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

C15H18N2O2 — CID 6324584

IUPACN-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-9-4-5-12-8-13(6-7-16-11(3)18)15(19)17-14(12)10(9)2/h4-5,8H,6-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyHRXDVZKNUSJCAE-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.82
Rot. Bonds3

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

N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide (PubChem CID 6324584) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
PubChem CID6324584
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-9-4-5-12-8-13(6-7-16-11(3)18)15(19)17-14(12)10(9)2/h4-5,8H,6-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyHRXDVZKNUSJCAE-UHFFFAOYSA-N
XLogP1.82
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide (CID 6324584) is N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide is CC(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O.
What is the InChIKey of N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
The InChIKey is HRXDVZKNUSJCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-4-5-12-8-13(6-7-16-11(3)18)15(19)17-14(12)10(9)2/h4-5,8H,6-7H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide is sourced from PubChem (CID 6324584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).