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

C24H24N2O4 — CID 42280881

IUPACquinolin-2-yl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1cc(OC)c(C2=CCN(C(=O)c3ccc4ccccc4n3)CC2)c(OC)c1
InChIInChI=1S/C24H24N2O4/c1-28-18-14-21(29-2)23(22(15-18)30-3)17-10-12-26(13-11-17)24(27)20-9-8-16-6-4-5-7-19(16)25-20/h4-10,14-15H,11-13H2,1-3H3
InChIKeyWBRGCCZFOIHTIE-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.19
Rot. Bonds5

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

quinolin-2-yl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 42280881) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is quinolin-2-yl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Namequinolin-2-yl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID42280881
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Namequinolin-2-yl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1cc(OC)c(C2=CCN(C(=O)c3ccc4ccccc4n3)CC2)c(OC)c1
InChIInChI=1S/C24H24N2O4/c1-28-18-14-21(29-2)23(22(15-18)30-3)17-10-12-26(13-11-17)24(27)20-9-8-16-6-4-5-7-19(16)25-20/h4-10,14-15H,11-13H2,1-3H3
InChIKeyWBRGCCZFOIHTIE-UHFFFAOYSA-N
XLogP4.19
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of quinolin-2-yl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of quinolin-2-yl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 42280881) is quinolin-2-yl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for quinolin-2-yl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for quinolin-2-yl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is COc1cc(OC)c(C2=CCN(C(=O)c3ccc4ccccc4n3)CC2)c(OC)c1.
What is the InChIKey of quinolin-2-yl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is WBRGCCZFOIHTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-28-18-14-21(29-2)23(22(15-18)30-3)17-10-12-26(13-11-17)24(27)20-9-8-16-6-4-5-7-19(16)25-20/h4-10,14-15H,11-13H2,1-3H3.
What are the key properties of quinolin-2-yl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
quinolin-2-yl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 404.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-2-yl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 42280881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).