8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide

C17H20N2O3 — CID 25322575

IUPAC8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide
SMILESCCc1cccc2c(=O)c(C(=O)NC[C@@H]3CCCO3)c[nH]c12
InChIInChI=1S/C17H20N2O3/c1-2-11-5-3-7-13-15(11)18-10-14(16(13)20)17(21)19-9-12-6-4-8-22-12/h3,5,7,10,12H,2,4,6,8-9H2,1H3,(H,18,20)(H,19,21)/t12-/m0/s1
InChIKeyXTEYZUJNAZUIMP-LBPRGKRZSA-N
MW300.36 g/mol
LogP2.00
Rot. Bonds4

About 8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide

8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide (PubChem CID 25322575) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide
PubChem CID25322575
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide
SMILESCCc1cccc2c(=O)c(C(=O)NC[C@@H]3CCCO3)c[nH]c12
InChIInChI=1S/C17H20N2O3/c1-2-11-5-3-7-13-15(11)18-10-14(16(13)20)17(21)19-9-12-6-4-8-22-12/h3,5,7,10,12H,2,4,6,8-9H2,1H3,(H,18,20)(H,19,21)/t12-/m0/s1
InChIKeyXTEYZUJNAZUIMP-LBPRGKRZSA-N
XLogP2.00
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 43831833
2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110849461
7-methoxy-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide
CID 51684426
4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045638
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid
CID 167919642
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
CID 30132441
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide
CID 47330976
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide?
The IUPAC name of 8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide (CID 25322575) is 8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide is CCc1cccc2c(=O)c(C(=O)NC[C@@H]3CCCO3)c[nH]c12.
What is the InChIKey of 8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide?
The InChIKey is XTEYZUJNAZUIMP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-11-5-3-7-13-15(11)18-10-14(16(13)20)17(21)19-9-12-6-4-8-22-12/h3,5,7,10,12H,2,4,6,8-9H2,1H3,(H,18,20)(H,19,21)/t12-/m0/s1.
What are the key properties of 8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide?
8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 25322575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).