3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one

C18H24N2O2 — CID 56721682

IUPAC3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
SMILESCOCC1CCCCN1Cc1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C18H24N2O2/c1-13-6-7-14-10-15(18(21)19-17(14)9-13)11-20-8-4-3-5-16(20)12-22-2/h6-7,9-10,16H,3-5,8,11-12H2,1-2H3,(H,19,21)
InChIKeyWPIBELKFJHIQCT-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.84
Rot. Bonds4

About 3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one

3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 56721682) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
PubChem CID56721682
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
SMILESCOCC1CCCCN1Cc1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C18H24N2O2/c1-13-6-7-14-10-15(18(21)19-17(14)9-13)11-20-8-4-3-5-16(20)12-22-2/h6-7,9-10,16H,3-5,8,11-12H2,1-2H3,(H,19,21)
InChIKeyWPIBELKFJHIQCT-UHFFFAOYSA-N
XLogP2.84
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R)-2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 95228469
3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
CID 53174835
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818
N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174888
7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56751376
7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 95216039
3-[[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56748014
N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide
CID 1399223
7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95551835
3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56718060
N-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 56709700

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one (CID 56721682) is 3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one is COCC1CCCCN1Cc1cc2ccc(C)cc2[nH]c1=O.
What is the InChIKey of 3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one?
The InChIKey is WPIBELKFJHIQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-6-7-14-10-15(18(21)19-17(14)9-13)11-20-8-4-3-5-16(20)12-22-2/h6-7,9-10,16H,3-5,8,11-12H2,1-2H3,(H,19,21).
What are the key properties of 3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one?
3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 56721682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).