(2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C21H21Cl2NO4 — CID 33264956

IUPAC(2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1cc(OC)c(C2=CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c(OC)c1
InChIInChI=1S/C21H21Cl2NO4/c1-26-15-11-18(27-2)20(19(12-15)28-3)13-6-8-24(9-7-13)21(25)16-10-14(22)4-5-17(16)23/h4-6,10-12H,7-9H2,1-3H3
InChIKeyWOGVNZYWECNYFN-UHFFFAOYSA-N
MW422.31 g/mol
LogP4.95
Rot. Bonds5

About (2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 33264956) has the molecular formula C21H21Cl2NO4 and a molecular weight of 422.31 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID33264956
Molecular FormulaC21H21Cl2NO4
Molecular Weight422.31 g/mol
Exact Mass421.08
IUPAC Name(2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1cc(OC)c(C2=CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c(OC)c1
InChIInChI=1S/C21H21Cl2NO4/c1-26-15-11-18(27-2)20(19(12-15)28-3)13-6-8-24(9-7-13)21(25)16-10-14(22)4-5-17(16)23/h4-6,10-12H,7-9H2,1-3H3
InChIKeyWOGVNZYWECNYFN-UHFFFAOYSA-N
XLogP4.95
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyphenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 33264904
(2-chloro-4-nitrophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42280913
(3-hydroxynaphthalen-2-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42280880
(2-chlorocyclohexen-1-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 71899480
(2-sulfanylidene-1H-pyridin-3-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 43046682
(2,6-dimethylquinolin-3-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24572845
(7-methoxy-2-methylquinolin-3-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42281291
2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 17451041
1-pyrrolidin-1-yl-2-[2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]sulfanylethanone
CID 33265215
3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 24675717
quinolin-2-yl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42280881
cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 17454082

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 33264956) is (2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is COc1cc(OC)c(C2=CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c(OC)c1.
What is the InChIKey of (2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is WOGVNZYWECNYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2NO4/c1-26-15-11-18(27-2)20(19(12-15)28-3)13-6-8-24(9-7-13)21(25)16-10-14(22)4-5-17(16)23/h4-6,10-12H,7-9H2,1-3H3.
What are the key properties of (2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 422.31 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 33264956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).