N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide

C15H18N2O2 — CID 3240947

IUPACN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-9-6-13-8-12(4-5-16-11(3)18)15(19)17-14(13)7-10(9)2/h6-8H,4-5H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyMYYZFXSOMBJRBZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.82
Rot. Bonds3

About N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide

N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide (PubChem CID 3240947) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
PubChem CID3240947
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-9-6-13-8-12(4-5-16-11(3)18)15(19)17-14(13)7-10(9)2/h6-8H,4-5H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyMYYZFXSOMBJRBZ-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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Related Compounds

N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
CID 4077939
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentanecarboxamide
CID 4091360
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 4182872
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]pyridine-3-carboxamide
CID 110326347
N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331619
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331644
1-benzyl-3-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 7136903
3-ethyl-6,7-dimethyl-1H-quinolin-2-one
CID 21061119
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-propan-2-ylpropanamide
CID 110331604
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide
CID 110331606
1-(4-chlorophenyl)-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 4178721
3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one
CID 23009284

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide (CID 3240947) is N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide is CC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O.
What is the InChIKey of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
The InChIKey is MYYZFXSOMBJRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-6-13-8-12(4-5-16-11(3)18)15(19)17-14(13)7-10(9)2/h6-8H,4-5H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
N-[2-(6,7-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-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide is sourced from PubChem (CID 3240947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).