6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide

C18H24N2O3 — CID 30134022

IUPAC6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide
SMILESCCC[C@@H](C)NC(=O)c1cn(C)c2ccc(OCC)cc2c1=O
InChIInChI=1S/C18H24N2O3/c1-5-7-12(3)19-18(22)15-11-20(4)16-9-8-13(23-6-2)10-14(16)17(15)21/h8-12H,5-7H2,1-4H3,(H,19,22)/t12-/m1/s1
InChIKeyISQCBQPBHHOHOE-GFCCVEGCSA-N
MW316.40 g/mol
LogP2.86
Rot. Bonds6

About 6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide

6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide (PubChem CID 30134022) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide
PubChem CID30134022
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide
SMILESCCC[C@@H](C)NC(=O)c1cn(C)c2ccc(OCC)cc2c1=O
InChIInChI=1S/C18H24N2O3/c1-5-7-12(3)19-18(22)15-11-20(4)16-9-8-13(23-6-2)10-14(16)17(15)21/h8-12H,5-7H2,1-4H3,(H,19,22)/t12-/m1/s1
InChIKeyISQCBQPBHHOHOE-GFCCVEGCSA-N
XLogP2.86
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
CID 30133856
N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
CID 43888799
6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30133888
6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide
CID 30133873
6-ethoxy-1-methyl-4-oxo-N-phenylquinoline-3-carboxamide
CID 30133870
6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133854
6-ethoxy-1-methyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 30133978
6-ethoxy-1-methyl-N-(2-morpholin-4-ylethyl)-4-oxoquinoline-3-carboxamide
CID 30134066
6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one
CID 30133993
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133939
N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
CID 30134009
6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide
CID 30133417

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide?
The IUPAC name of 6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide (CID 30134022) is 6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide.
What is the SMILES notation for 6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide?
The canonical SMILES for 6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide is CCC[C@@H](C)NC(=O)c1cn(C)c2ccc(OCC)cc2c1=O.
What is the InChIKey of 6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide?
The InChIKey is ISQCBQPBHHOHOE-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-7-12(3)19-18(22)15-11-20(4)16-9-8-13(23-6-2)10-14(16)17(15)21/h8-12H,5-7H2,1-4H3,(H,19,22)/t12-/m1/s1.
What are the key properties of 6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide?
6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide is sourced from PubChem (CID 30134022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).