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

C18H24N2O2 — CID 97150785

IUPAC6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CNCC[C@@H]3CCCCO3)cc(=O)c2c1
InChIInChI=1S/C18H24N2O2/c1-13-5-6-17-16(10-13)18(21)11-14(20-17)12-19-8-7-15-4-2-3-9-22-15/h5-6,10-11,15,19H,2-4,7-9,12H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyKRMDEUKNWNOTNS-HNNXBMFYSA-N
MW300.40 g/mol
LogP2.89
Rot. Bonds5

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

6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one (PubChem CID 97150785) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one
PubChem CID97150785
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CNCC[C@@H]3CCCCO3)cc(=O)c2c1
InChIInChI=1S/C18H24N2O2/c1-13-5-6-17-16(10-13)18(21)11-14(20-17)12-19-8-7-15-4-2-3-9-22-15/h5-6,10-11,15,19H,2-4,7-9,12H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyKRMDEUKNWNOTNS-HNNXBMFYSA-N
XLogP2.89
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one (CID 97150785) is 6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one is Cc1ccc2[nH]c(CNCC[C@@H]3CCCCO3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one?
The InChIKey is KRMDEUKNWNOTNS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-5-6-17-16(10-13)18(21)11-14(20-17)12-19-8-7-15-4-2-3-9-22-15/h5-6,10-11,15,19H,2-4,7-9,12H2,1H3,(H,20,21)/t15-/m0/s1.
What are the key properties of 6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one?
6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one has a molecular weight of 300.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 97150785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).