1-methyl-6-[[methyl-(2-oxoazepan-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one

C18H25N3O2 — CID 154805037

IUPAC1-methyl-6-[[methyl-(2-oxoazepan-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(CN(C)C3CCCCNC3=O)ccc21
InChIInChI=1S/C18H25N3O2/c1-20(16-5-3-4-10-19-18(16)23)12-13-6-8-15-14(11-13)7-9-17(22)21(15)2/h6,8,11,16H,3-5,7,9-10,12H2,1-2H3,(H,19,23)
InChIKeyCMJKPKZJQJZJPX-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.70
Rot. Bonds3

About 1-methyl-6-[[methyl-(2-oxoazepan-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one

1-methyl-6-[[methyl-(2-oxoazepan-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one (PubChem CID 154805037) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-methyl-6-[[methyl-(2-oxoazepan-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[[methyl-(2-oxoazepan-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one
PubChem CID154805037
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-methyl-6-[[methyl-(2-oxoazepan-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(CN(C)C3CCCCNC3=O)ccc21
InChIInChI=1S/C18H25N3O2/c1-20(16-5-3-4-10-19-18(16)23)12-13-6-8-15-14(11-13)7-9-17(22)21(15)2/h6,8,11,16H,3-5,7,9-10,12H2,1-2H3,(H,19,23)
InChIKeyCMJKPKZJQJZJPX-UHFFFAOYSA-N
XLogP1.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[methyl-(2-oxoazepan-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[[methyl-(2-oxoazepan-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one (CID 154805037) is 1-methyl-6-[[methyl-(2-oxoazepan-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[[methyl-(2-oxoazepan-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[[methyl-(2-oxoazepan-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(CN(C)C3CCCCNC3=O)ccc21.
What is the InChIKey of 1-methyl-6-[[methyl-(2-oxoazepan-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is CMJKPKZJQJZJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20(16-5-3-4-10-19-18(16)23)12-13-6-8-15-14(11-13)7-9-17(22)21(15)2/h6,8,11,16H,3-5,7,9-10,12H2,1-2H3,(H,19,23).
What are the key properties of 1-methyl-6-[[methyl-(2-oxoazepan-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[[methyl-(2-oxoazepan-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[methyl-(2-oxoazepan-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 154805037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).