3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one

C19H27N3O3 — CID 43818942

IUPAC3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
SMILESCCN1CCCC1CNCc1cc2cc(OC)c(OC)cc2[nH]c1=O
InChIInChI=1S/C19H27N3O3/c1-4-22-7-5-6-15(22)12-20-11-14-8-13-9-17(24-2)18(25-3)10-16(13)21-19(14)23/h8-10,15,20H,4-7,11-12H2,1-3H3,(H,21,23)
InChIKeyKJAPVNPSTKAHPB-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.12
Rot. Bonds7

About 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one

3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one (PubChem CID 43818942) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
PubChem CID43818942
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
SMILESCCN1CCCC1CNCc1cc2cc(OC)c(OC)cc2[nH]c1=O
InChIInChI=1S/C19H27N3O3/c1-4-22-7-5-6-15(22)12-20-11-14-8-13-9-17(24-2)18(25-3)10-16(13)21-19(14)23/h8-10,15,20H,4-7,11-12H2,1-3H3,(H,21,23)
InChIKeyKJAPVNPSTKAHPB-UHFFFAOYSA-N
XLogP2.12
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6,7-dimethoxy-1H-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 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one (CID 43818942) is 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one is CCN1CCCC1CNCc1cc2cc(OC)c(OC)cc2[nH]c1=O.
What is the InChIKey of 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one?
The InChIKey is KJAPVNPSTKAHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-4-22-7-5-6-15(22)12-20-11-14-8-13-9-17(24-2)18(25-3)10-16(13)21-19(14)23/h8-10,15,20H,4-7,11-12H2,1-3H3,(H,21,23).
What are the key properties of 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one?
3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one has a molecular weight of 345.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one is sourced from PubChem (CID 43818942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).