2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C24H21N3O4 — CID 71241902

IUPAC2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1OC
InChIInChI=1S/C24H21N3O4/c1-29-21-8-7-15(12-23(21)30-2)16-11-19-17(5-3-9-26-19)22(13-16)31-14-20-18(24(25)28)6-4-10-27-20/h3-13H,14H2,1-2H3,(H2,25,28)
InChIKeyYPLGAXLOFMRMBR-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.99
Rot. Bonds7

About 2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71241902) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71241902
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1OC
InChIInChI=1S/C24H21N3O4/c1-29-21-8-7-15(12-23(21)30-2)16-11-19-17(5-3-9-26-19)22(13-16)31-14-20-18(24(25)28)6-4-10-27-20/h3-13H,14H2,1-2H3,(H2,25,28)
InChIKeyYPLGAXLOFMRMBR-UHFFFAOYSA-N
XLogP3.99
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71241902) is 2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is COc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1OC.
What is the InChIKey of 2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is YPLGAXLOFMRMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-29-21-8-7-15(12-23(21)30-2)16-11-19-17(5-3-9-26-19)22(13-16)31-14-20-18(24(25)28)6-4-10-27-20/h3-13H,14H2,1-2H3,(H2,25,28).
What are the key properties of 2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71241902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).