(2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone

C18H19ClN2O4 — CID 92758229

IUPAC(2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
SMILESCOc1ccccc1OC[C@@H]1CN(C(=O)c2cccnc2Cl)CCO1
InChIInChI=1S/C18H19ClN2O4/c1-23-15-6-2-3-7-16(15)25-12-13-11-21(9-10-24-13)18(22)14-5-4-8-20-17(14)19/h2-8,13H,9-12H2,1H3/t13-/m0/s1
InChIKeyZBNPFXVFDWKEAV-ZDUSSCGKSA-N
MW362.81 g/mol
LogP2.66
Rot. Bonds5

About (2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone

(2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone (PubChem CID 92758229) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
PubChem CID92758229
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name(2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
SMILESCOc1ccccc1OC[C@@H]1CN(C(=O)c2cccnc2Cl)CCO1
InChIInChI=1S/C18H19ClN2O4/c1-23-15-6-2-3-7-16(15)25-12-13-11-21(9-10-24-13)18(22)14-5-4-8-20-17(14)19/h2-8,13H,9-12H2,1H3/t13-/m0/s1
InChIKeyZBNPFXVFDWKEAV-ZDUSSCGKSA-N
XLogP2.66
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-[(2-methoxy-4-methylphenoxy)methyl]morpholin-4-yl]-(2-methylphenyl)methanone
CID 93336839
(6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 92759778
[(2R)-2-ethylmorpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 94023356
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbothioamide
CID 3834529
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
CID 4988485
2-[(2R)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979589
methyl 2-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetate
CID 102567692
1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 46100107
(2-fluoro-3-pyridinyl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
CID 5016333
1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 3402504
1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-en-1-one
CID 3751246
(2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone
CID 74227391

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone (CID 92758229) is (2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone is COc1ccccc1OC[C@@H]1CN(C(=O)c2cccnc2Cl)CCO1.
What is the InChIKey of (2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone?
The InChIKey is ZBNPFXVFDWKEAV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-23-15-6-2-3-7-16(15)25-12-13-11-21(9-10-24-13)18(22)14-5-4-8-20-17(14)19/h2-8,13H,9-12H2,1H3/t13-/m0/s1.
What are the key properties of (2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone?
(2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone has a molecular weight of 362.81 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 92758229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).