2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one

C18H24N2O2 — CID 99953838

IUPAC2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one
SMILESCN(CCC[C@@H]1CCCO1)Cc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C18H24N2O2/c1-20(10-4-6-15-7-5-11-22-15)13-14-12-18(21)16-8-2-3-9-17(16)19-14/h2-3,8-9,12,15H,4-7,10-11,13H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyNEGKTKULBIAXMX-OAHLLOKOSA-N
MW300.40 g/mol
LogP2.92
Rot. Bonds6

About 2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one

2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one (PubChem CID 99953838) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one
PubChem CID99953838
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one
SMILESCN(CCC[C@@H]1CCCO1)Cc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C18H24N2O2/c1-20(10-4-6-15-7-5-11-22-15)13-14-12-18(21)16-8-2-3-9-17(16)19-14/h2-3,8-9,12,15H,4-7,10-11,13H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyNEGKTKULBIAXMX-OAHLLOKOSA-N
XLogP2.92
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one
CID 97152797
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65158366
8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one
CID 72933930
4-[[methyl-[3-(oxolan-2-yl)propyl]amino]methyl]benzonitrile
CID 77079691
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 97155530
N-methyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 77082731
1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154773
N-(2-chloroethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65165670
6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one
CID 97150785
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 124842324
2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one
CID 77082791
N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 125166387

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one?
The IUPAC name of 2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one (CID 99953838) is 2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one is CN(CCC[C@@H]1CCCO1)Cc1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one?
The InChIKey is NEGKTKULBIAXMX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-20(10-4-6-15-7-5-11-22-15)13-14-12-18(21)16-8-2-3-9-17(16)19-14/h2-3,8-9,12,15H,4-7,10-11,13H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of 2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one?
2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one has a molecular weight of 300.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 99953838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).