4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one

C16H22N2O3 — CID 104705970

IUPAC4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCOC1(CNC2CC(=O)N(C)c3ccccc32)CCOC1
InChIInChI=1S/C16H22N2O3/c1-18-14-6-4-3-5-12(14)13(9-15(18)19)17-10-16(20-2)7-8-21-11-16/h3-6,13,17H,7-11H2,1-2H3
InChIKeySFSGKZRHANLNKV-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.49
Rot. Bonds4

About 4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one

4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 104705970) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID104705970
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCOC1(CNC2CC(=O)N(C)c3ccccc32)CCOC1
InChIInChI=1S/C16H22N2O3/c1-18-14-6-4-3-5-12(14)13(9-15(18)19)17-10-16(20-2)7-8-21-11-16/h3-6,13,17H,7-11H2,1-2H3
InChIKeySFSGKZRHANLNKV-UHFFFAOYSA-N
XLogP1.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one
CID 103903270
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 107270858
N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 113443436
1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one
CID 80726722
4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 82706106
4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43775263
4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 43763715
4-(2-hydroxypropylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43776299
4-(2-ethylbutylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 115718008
N-[(3-methoxyoxolan-3-yl)methyl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 104705882
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 107386431
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one (CID 104705970) is 4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one is COC1(CNC2CC(=O)N(C)c3ccccc32)CCOC1.
What is the InChIKey of 4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is SFSGKZRHANLNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18-14-6-4-3-5-12(14)13(9-15(18)19)17-10-16(20-2)7-8-21-11-16/h3-6,13,17H,7-11H2,1-2H3.
What are the key properties of 4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 104705970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).