1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one

C15H18N2O2 — CID 81244304

IUPAC1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one
SMILESCn1c(=O)cc(NCC2CCOC2)c2ccccc21
InChIInChI=1S/C15H18N2O2/c1-17-14-5-3-2-4-12(14)13(8-15(17)18)16-9-11-6-7-19-10-11/h2-5,8,11,16H,6-7,9-10H2,1H3
InChIKeyCYMWVKRLLNICPC-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.99
Rot. Bonds3

About 1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one

1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one (PubChem CID 81244304) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one
PubChem CID81244304
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one
SMILESCn1c(=O)cc(NCC2CCOC2)c2ccccc21
InChIInChI=1S/C15H18N2O2/c1-17-14-5-3-2-4-12(14)13(8-15(17)18)16-9-11-6-7-19-10-11/h2-5,8,11,16H,6-7,9-10H2,1H3
InChIKeyCYMWVKRLLNICPC-UHFFFAOYSA-N
XLogP1.99
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one?
The IUPAC name of 1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one (CID 81244304) is 1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one.
What is the SMILES notation for 1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one?
The canonical SMILES for 1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one is Cn1c(=O)cc(NCC2CCOC2)c2ccccc21.
What is the InChIKey of 1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one?
The InChIKey is CYMWVKRLLNICPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17-14-5-3-2-4-12(14)13(8-15(17)18)16-9-11-6-7-19-10-11/h2-5,8,11,16H,6-7,9-10H2,1H3.
What are the key properties of 1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one?
1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one is sourced from PubChem (CID 81244304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).