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

C16H22N2O3 — CID 107270858

IUPAC4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC1OCCC1(O)CNC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C16H22N2O3/c1-11-16(20,7-8-21-11)10-17-13-9-15(19)18(2)14-6-4-3-5-12(13)14/h3-6,11,13,17,20H,7-10H2,1-2H3
InChIKeyDWXYCDDDUWHAAA-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.22
Rot. Bonds3

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

4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 107270858) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID107270858
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC1OCCC1(O)CNC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C16H22N2O3/c1-11-16(20,7-8-21-11)10-17-13-9-15(19)18(2)14-6-4-3-5-12(13)14/h3-6,11,13,17,20H,7-10H2,1-2H3
InChIKeyDWXYCDDDUWHAAA-UHFFFAOYSA-N
XLogP1.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one
CID 103903270
4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 104705970
4-(2-hydroxypropylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43776299
1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one
CID 80726722
4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 43763715
4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 115715625
4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 65102974
4-(2-ethylbutylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 115718008
4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43775263
2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea
CID 83110177
2-methyl-3-[[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]methyl]oxolan-3-ol
CID 107270713
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 107386431

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one (CID 107270858) is 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one is CC1OCCC1(O)CNC1CC(=O)N(C)c2ccccc21.
What is the InChIKey of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is DWXYCDDDUWHAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-16(20,7-8-21-11)10-17-13-9-15(19)18(2)14-6-4-3-5-12(13)14/h3-6,11,13,17,20H,7-10H2,1-2H3.
What are the key properties of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one?
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 107270858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).