6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one

C16H18ClNO3 — CID 30981055

IUPAC6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one
SMILESC[C@@H]1CN(Cc2coc3ccc(Cl)cc3c2=O)C[C@H](C)O1
InChIInChI=1S/C16H18ClNO3/c1-10-6-18(7-11(2)21-10)8-12-9-20-15-4-3-13(17)5-14(15)16(12)19/h3-5,9-11H,6-8H2,1-2H3/t10-,11+
InChIKeyZVWWUJJGHLBEPB-PHIMTYICSA-N
MW307.78 g/mol
LogP3.06
Rot. Bonds2

About 6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one

6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one (PubChem CID 30981055) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one.

Molecular Properties

Compound Name6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one
PubChem CID30981055
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one
SMILESC[C@@H]1CN(Cc2coc3ccc(Cl)cc3c2=O)C[C@H](C)O1
InChIInChI=1S/C16H18ClNO3/c1-10-6-18(7-11(2)21-10)8-12-9-20-15-4-3-13(17)5-14(15)16(12)19/h3-5,9-11H,6-8H2,1-2H3/t10-,11+
InChIKeyZVWWUJJGHLBEPB-PHIMTYICSA-N
XLogP3.06
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azepan-1-ylmethyl)-6-chlorochromen-4-one
CID 783077
5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 62100073
4-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 79582306
6-chloro-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]chromen-4-one
CID 2846158
6-chloro-3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]chromen-4-one
CID 2845997
3-[(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]chromen-4-one
CID 126464747
6-chloro-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]chromen-4-one
CID 50962408
6-chloro-3-[[cyclopropylmethyl(propyl)amino]methyl]chromen-4-one
CID 3819645
6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one
CID 11978440
2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine
CID 102936602
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one
CID 7198589
1-[(2,6-dimethylmorpholin-4-yl)methyl]benzo[f]chromen-3-one
CID 18775916

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one?
The IUPAC name of 6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one (CID 30981055) is 6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one.
What is the SMILES notation for 6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one?
The canonical SMILES for 6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one is C[C@@H]1CN(Cc2coc3ccc(Cl)cc3c2=O)C[C@H](C)O1.
What is the InChIKey of 6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one?
The InChIKey is ZVWWUJJGHLBEPB-PHIMTYICSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-10-6-18(7-11(2)21-10)8-12-9-20-15-4-3-13(17)5-14(15)16(12)19/h3-5,9-11H,6-8H2,1-2H3/t10-,11+.
What are the key properties of 6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one?
6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one has a molecular weight of 307.78 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one is sourced from PubChem (CID 30981055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).