3-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide

C17H22N2O2 — CID 78352441

IUPAC3-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide
SMILESCc1ccc2c(c1)=NC(=O)C(CCNC(=O)CC(C)C)C=2
InChIInChI=1S/C17H22N2O2/c1-11(2)8-16(20)18-7-6-14-10-13-5-4-12(3)9-15(13)19-17(14)21/h4-5,9-11,14H,6-8H2,1-3H3,(H,18,20)
InChIKeyJQKFBPNDIZGYCH-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.10
Rot. Bonds5

About 3-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide

3-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide (PubChem CID 78352441) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide
PubChem CID78352441
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide
SMILESCc1ccc2c(c1)=NC(=O)C(CCNC(=O)CC(C)C)C=2
InChIInChI=1S/C17H22N2O2/c1-11(2)8-16(20)18-7-6-14-10-13-5-4-12(3)9-15(13)19-17(14)21/h4-5,9-11,14H,6-8H2,1-3H3,(H,18,20)
InChIKeyJQKFBPNDIZGYCH-UHFFFAOYSA-N
XLogP1.10
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide (CID 78352441) is 3-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide is Cc1ccc2c(c1)=NC(=O)C(CCNC(=O)CC(C)C)C=2.
What is the InChIKey of 3-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide?
The InChIKey is JQKFBPNDIZGYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(2)8-16(20)18-7-6-14-10-13-5-4-12(3)9-15(13)19-17(14)21/h4-5,9-11,14H,6-8H2,1-3H3,(H,18,20).
What are the key properties of 3-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide?
3-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide has a molecular weight of 286.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide is sourced from PubChem (CID 78352441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).