2-ethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]butanamide

C18H24N2O2 — CID 4278224

IUPAC2-ethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C18H24N2O2/c1-4-13(5-2)17(21)19-9-8-15-11-14-7-6-12(3)10-16(14)20-18(15)22/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyPQDGKFJRTABJJL-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.93
Rot. Bonds6

About 2-ethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]butanamide

2-ethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]butanamide (PubChem CID 4278224) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-ethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]butanamide
PubChem CID4278224
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-ethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C18H24N2O2/c1-4-13(5-2)17(21)19-9-8-15-11-14-7-6-12(3)10-16(14)20-18(15)22/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyPQDGKFJRTABJJL-UHFFFAOYSA-N
XLogP2.93
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]butanamide (CID 4278224) is 2-ethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]butanamide is CCC(CC)C(=O)NCCc1cc2ccc(C)cc2[nH]c1=O.
What is the InChIKey of 2-ethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]butanamide?
The InChIKey is PQDGKFJRTABJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-13(5-2)17(21)19-9-8-15-11-14-7-6-12(3)10-16(14)20-18(15)22/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 2-ethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]butanamide?
2-ethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]butanamide has a molecular weight of 300.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]butanamide is sourced from PubChem (CID 4278224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).