1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one

C21H22N2O3 — CID 10970160

IUPAC1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one
SMILESCCC(=O)c1cc(-c2nc3ccccc3cc2COC)nc(OC)c1C
InChIInChI=1S/C21H22N2O3/c1-5-19(24)16-11-18(23-21(26-4)13(16)2)20-15(12-25-3)10-14-8-6-7-9-17(14)22-20/h6-11H,5,12H2,1-4H3
InChIKeyMSIXBWZGUDUFGN-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.35
Rot. Bonds6

About 1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one

1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one (PubChem CID 10970160) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one
PubChem CID10970160
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one
SMILESCCC(=O)c1cc(-c2nc3ccccc3cc2COC)nc(OC)c1C
InChIInChI=1S/C21H22N2O3/c1-5-19(24)16-11-18(23-21(26-4)13(16)2)20-15(12-25-3)10-14-8-6-7-9-17(14)22-20/h6-11H,5,12H2,1-4H3
InChIKeyMSIXBWZGUDUFGN-UHFFFAOYSA-N
XLogP4.35
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one with MolForge

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Related Compounds

2-amino-1-(2-methoxyquinolin-3-yl)ethanone
CID 90036655
[2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid
CID 90036427
3-(methoxymethyl)quinoline-2-carbaldehyde
CID 11816500
3-(methoxymethyl)naphthalene-2-carboxylic acid
CID 132596930
3-ethyl-2-pyridin-2-ylquinoline
CID 71056975
(2-methoxyquinolin-3-yl) hydrogen carbonate
CID 70529555
methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate
CID 166457894
2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline
CID 167959717
2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol
CID 158310859
2-methoxy-3-phenylmethoxyquinoline
CID 154390747
2-methoxy-1-(2-methylquinolin-4-yl)ethanone
CID 105115074
2-chloro-3-(2-methoxyethoxymethyl)quinoline
CID 54938690

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one?
The IUPAC name of 1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one (CID 10970160) is 1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one?
The canonical SMILES for 1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one is CCC(=O)c1cc(-c2nc3ccccc3cc2COC)nc(OC)c1C.
What is the InChIKey of 1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one?
The InChIKey is MSIXBWZGUDUFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-5-19(24)16-11-18(23-21(26-4)13(16)2)20-15(12-25-3)10-14-8-6-7-9-17(14)22-20/h6-11H,5,12H2,1-4H3.
What are the key properties of 1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one?
1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one has a molecular weight of 350.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one is sourced from PubChem (CID 10970160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).