[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone

C16H22N2O3 — CID 102933003

IUPAC[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
SMILESCC1CN(C(=O)C2CNc3ccccc3C2)CC(CO)O1
InChIInChI=1S/C16H22N2O3/c1-11-8-18(9-14(10-19)21-11)16(20)13-6-12-4-2-3-5-15(12)17-7-13/h2-5,11,13-14,17,19H,6-10H2,1H3
InChIKeyPRXVFVCOXXKGTJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.88
Rot. Bonds2

About [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone (PubChem CID 102933003) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
PubChem CID102933003
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
SMILESCC1CN(C(=O)C2CNc3ccccc3C2)CC(CO)O1
InChIInChI=1S/C16H22N2O3/c1-11-8-18(9-14(10-19)21-11)16(20)13-6-12-4-2-3-5-15(12)17-7-13/h2-5,11,13-14,17,19H,6-10H2,1H3
InChIKeyPRXVFVCOXXKGTJ-UHFFFAOYSA-N
XLogP0.88
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone with MolForge

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Related Compounds

(3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 79180699
8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 66369499
2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid
CID 106901528
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106586999
1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106901703
(3S)-1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 106901635
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone
CID 102934601
2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934709
(2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 129429378
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid
CID 102932282
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106901792

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone (CID 102933003) is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone is CC1CN(C(=O)C2CNc3ccccc3C2)CC(CO)O1.
What is the InChIKey of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
The InChIKey is PRXVFVCOXXKGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-8-18(9-14(10-19)21-11)16(20)13-6-12-4-2-3-5-15(12)17-7-13/h2-5,11,13-14,17,19H,6-10H2,1H3.
What are the key properties of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone has a molecular weight of 290.36 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone is sourced from PubChem (CID 102933003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).