5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C15H22N2O3 — CID 104705788

IUPAC5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCOC1(CNC2CCCc3[nH]c(=O)ccc32)CCOC1
InChIInChI=1S/C15H22N2O3/c1-19-15(7-8-20-10-15)9-16-12-3-2-4-13-11(12)5-6-14(18)17-13/h5-6,12,16H,2-4,7-10H2,1H3,(H,17,18)
InChIKeyBTLDLKBYMHHWLE-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.15
Rot. Bonds4

About 5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 104705788) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID104705788
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCOC1(CNC2CCCc3[nH]c(=O)ccc32)CCOC1
InChIInChI=1S/C15H22N2O3/c1-19-15(7-8-20-10-15)9-16-12-3-2-4-13-11(12)5-6-14(18)17-13/h5-6,12,16H,2-4,7-10H2,1H3,(H,17,18)
InChIKeyBTLDLKBYMHHWLE-UHFFFAOYSA-N
XLogP1.15
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Related Compounds

5-[(4-methyloxan-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103903395
5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103903735
N-[(3-methoxyoxolan-3-yl)methyl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 104705882
5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 115358998
N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 113443436
5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108912
5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 104705814
5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108578
5-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108282
(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 89053172
5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108138
5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113260561

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 104705788) is 5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is COC1(CNC2CCCc3[nH]c(=O)ccc32)CCOC1.
What is the InChIKey of 5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is BTLDLKBYMHHWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-15(7-8-20-10-15)9-16-12-3-2-4-13-11(12)5-6-14(18)17-13/h5-6,12,16H,2-4,7-10H2,1H3,(H,17,18).
What are the key properties of 5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 104705788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).