3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one

C18H24N2O2 — CID 56717632

IUPAC3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CN3C[C@@H](C)O[C@@H](C)C3)cc2c1
InChIInChI=1S/C18H24N2O2/c1-11-5-12(2)17-15(6-11)7-16(18(21)19-17)10-20-8-13(3)22-14(4)9-20/h5-7,13-14H,8-10H2,1-4H3,(H,19,21)/t13-,14+
InChIKeyQBXKUFSTNMXJCL-OKILXGFUSA-N
MW300.40 g/mol
LogP2.75
Rot. Bonds2

About 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one

3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one (PubChem CID 56717632) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
PubChem CID56717632
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CN3C[C@@H](C)O[C@@H](C)C3)cc2c1
InChIInChI=1S/C18H24N2O2/c1-11-5-12(2)17-15(6-11)7-16(18(21)19-17)10-20-8-13(3)22-14(4)9-20/h5-7,13-14H,8-10H2,1-4H3,(H,19,21)/t13-,14+
InChIKeyQBXKUFSTNMXJCL-OKILXGFUSA-N
XLogP2.75
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one (CID 56717632) is 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one is Cc1cc(C)c2[nH]c(=O)c(CN3C[C@@H](C)O[C@@H](C)C3)cc2c1.
What is the InChIKey of 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The InChIKey is QBXKUFSTNMXJCL-OKILXGFUSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11-5-12(2)17-15(6-11)7-16(18(21)19-17)10-20-8-13(3)22-14(4)9-20/h5-7,13-14H,8-10H2,1-4H3,(H,19,21)/t13-,14+.
What are the key properties of 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one?
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 56717632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).