7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one

C16H20N2O2 — CID 863831

IUPAC7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CNC[C@@H]3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C16H20N2O2/c1-11-4-5-12-8-13(16(19)18-15(12)7-11)9-17-10-14-3-2-6-20-14/h4-5,7-8,14,17H,2-3,6,9-10H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeySLFKFYIJXBSPDW-AWEZNQCLSA-N
MW272.35 g/mol
LogP2.11
Rot. Bonds4

About 7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one

7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one (PubChem CID 863831) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
PubChem CID863831
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CNC[C@@H]3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C16H20N2O2/c1-11-4-5-12-8-13(16(19)18-15(12)7-11)9-17-10-14-3-2-6-20-14/h4-5,7-8,14,17H,2-3,6,9-10H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeySLFKFYIJXBSPDW-AWEZNQCLSA-N
XLogP2.11
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 53174855
8-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863829
1-(3-hydroxypropyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(oxolan-2-ylmethyl)thiourea
CID 3169369
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 62515858
1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)thiourea
CID 1141423
3-(4-fluorophenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 1133671
3-butyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 7108415
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1077957
1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-bis[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1374732
4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1077959

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one (CID 863831) is 7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one is Cc1ccc2cc(CNC[C@@H]3CCCO3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one?
The InChIKey is SLFKFYIJXBSPDW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-4-5-12-8-13(16(19)18-15(12)7-11)9-17-10-14-3-2-6-20-14/h4-5,7-8,14,17H,2-3,6,9-10H2,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of 7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one?
7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 863831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).