6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one

C14H18N2O3 — CID 116874484

IUPAC6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESNCC(O)C1(c2ccc3c(c2)CCC(=O)N3)COC1
InChIInChI=1S/C14H18N2O3/c15-6-12(17)14(7-19-8-14)10-2-3-11-9(5-10)1-4-13(18)16-11/h2-3,5,12,17H,1,4,6-8,15H2,(H,16,18)
InChIKeyKQEZOQSXJLFCFZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.16
Rot. Bonds3

About 6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one

6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 116874484) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID116874484
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESNCC(O)C1(c2ccc3c(c2)CCC(=O)N3)COC1
InChIInChI=1S/C14H18N2O3/c15-6-12(17)14(7-19-8-14)10-2-3-11-9(5-10)1-4-13(18)16-11/h2-3,5,12,17H,1,4,6-8,15H2,(H,16,18)
InChIKeyKQEZOQSXJLFCFZ-UHFFFAOYSA-N
XLogP0.16
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol
CID 116874515
6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 117039998
5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one
CID 116872639
2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol
CID 116874468
6-(2-aminopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82190762
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-(2-amino-1-cyclopropylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82288916
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one
CID 116872972
methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 114242135
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride
CID 82488863

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one (CID 116874484) is 6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one is NCC(O)C1(c2ccc3c(c2)CCC(=O)N3)COC1.
What is the InChIKey of 6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KQEZOQSXJLFCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-6-12(17)14(7-19-8-14)10-2-3-11-9(5-10)1-4-13(18)16-11/h2-3,5,12,17H,1,4,6-8,15H2,(H,16,18).
What are the key properties of 6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 116874484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).