[2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone

C18H18Cl2N2O3 — CID 146042813

IUPAC[2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone
SMILESCOc1cnc(C)cc1C(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H18Cl2N2O3/c1-11-7-13(16(24-2)9-21-11)18(23)22-5-6-25-17(10-22)12-3-4-14(19)15(20)8-12/h3-4,7-9,17H,5-6,10H2,1-2H3
InChIKeyHBHLPGGBIDSVNF-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.92
Rot. Bonds3

About [2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone

[2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone (PubChem CID 146042813) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone
PubChem CID146042813
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone
SMILESCOc1cnc(C)cc1C(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H18Cl2N2O3/c1-11-7-13(16(24-2)9-21-11)18(23)22-5-6-25-17(10-22)12-3-4-14(19)15(20)8-12/h3-4,7-9,17H,5-6,10H2,1-2H3
InChIKeyHBHLPGGBIDSVNF-UHFFFAOYSA-N
XLogP3.92
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(3-methoxy-2-pyridinyl)methanone
CID 95199203
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
[2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone
CID 166186596
(4-chloro-2-methoxyphenyl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95203094
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 137342067
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone
CID 95195384
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 95202636
(2-methoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110326509
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 95197408
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364303

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone?
The IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone (CID 146042813) is [2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone is COc1cnc(C)cc1C(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone?
The InChIKey is HBHLPGGBIDSVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-11-7-13(16(24-2)9-21-11)18(23)22-5-6-25-17(10-22)12-3-4-14(19)15(20)8-12/h3-4,7-9,17H,5-6,10H2,1-2H3.
What are the key properties of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone?
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone has a molecular weight of 381.26 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 146042813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).