2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C26H20N4O2 — CID 71241940

IUPAC2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCc1ccc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2n1
InChIInChI=1S/C26H20N4O2/c1-16-6-7-18-12-17(8-9-22(18)30-16)19-13-23-20(4-2-10-28-23)25(14-19)32-15-24-21(26(27)31)5-3-11-29-24/h2-14H,15H2,1H3,(H2,27,31)
InChIKeyPMEQXEOQPLSECB-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.83
Rot. Bonds5

About 2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71241940) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71241940
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Name2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCc1ccc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2n1
InChIInChI=1S/C26H20N4O2/c1-16-6-7-18-12-17(8-9-22(18)30-16)19-13-23-20(4-2-10-28-23)25(14-19)32-15-24-21(26(27)31)5-3-11-29-24/h2-14H,15H2,1H3,(H2,27,31)
InChIKeyPMEQXEOQPLSECB-UHFFFAOYSA-N
XLogP4.83
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71241940) is 2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is Cc1ccc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2n1.
What is the InChIKey of 2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is PMEQXEOQPLSECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c1-16-6-7-18-12-17(8-9-22(18)30-16)19-13-23-20(4-2-10-28-23)25(14-19)32-15-24-21(26(27)31)5-3-11-29-24/h2-14H,15H2,1H3,(H2,27,31).
What are the key properties of 2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71241940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).