2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one

C19H26N2O2 — CID 97155530

IUPAC2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
SMILESCCN(Cc1cc(=O)c2cc(C)ccc2[nH]1)C[C@@H]1CCCCO1
InChIInChI=1S/C19H26N2O2/c1-3-21(13-16-6-4-5-9-23-16)12-15-11-19(22)17-10-14(2)7-8-18(17)20-15/h7-8,10-11,16H,3-6,9,12-13H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyFCBULXAXAGXUME-INIZCTEOSA-N
MW314.43 g/mol
LogP3.23
Rot. Bonds5

About 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one

2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one (PubChem CID 97155530) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
PubChem CID97155530
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
SMILESCCN(Cc1cc(=O)c2cc(C)ccc2[nH]1)C[C@@H]1CCCCO1
InChIInChI=1S/C19H26N2O2/c1-3-21(13-16-6-4-5-9-23-16)12-15-11-19(22)17-10-14(2)7-8-18(17)20-15/h7-8,10-11,16H,3-6,9,12-13H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyFCBULXAXAGXUME-INIZCTEOSA-N
XLogP3.23
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one with MolForge

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Related Compounds

6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one
CID 97150785
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one
CID 137313956
2-[[ethyl-[(4-methoxyphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931380
2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931351
3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one
CID 29105671
3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 95197102
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135808114
8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one
CID 97152797
2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one
CID 99953838
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591939
2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931387
2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 97132129

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one (CID 97155530) is 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one is CCN(Cc1cc(=O)c2cc(C)ccc2[nH]1)C[C@@H]1CCCCO1.
What is the InChIKey of 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one?
The InChIKey is FCBULXAXAGXUME-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-21(13-16-6-4-5-9-23-16)12-15-11-19(22)17-10-14(2)7-8-18(17)20-15/h7-8,10-11,16H,3-6,9,12-13H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one?
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one has a molecular weight of 314.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one is sourced from PubChem (CID 97155530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).