2-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C26H24N4O4 — CID 71241971

IUPAC2-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1COc1cc(-c2ccc(OC3CCOCC3)nc2)cc2ncccc12
InChIInChI=1S/C26H24N4O4/c27-26(31)21-4-2-10-29-23(21)16-33-24-14-18(13-22-20(24)3-1-9-28-22)17-5-6-25(30-15-17)34-19-7-11-32-12-8-19/h1-6,9-10,13-15,19H,7-8,11-12,16H2,(H2,27,31)
InChIKeyIBOHDBXHLUXNLI-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.93
Rot. Bonds7

About 2-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71241971) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71241971
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name2-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1COc1cc(-c2ccc(OC3CCOCC3)nc2)cc2ncccc12
InChIInChI=1S/C26H24N4O4/c27-26(31)21-4-2-10-29-23(21)16-33-24-14-18(13-22-20(24)3-1-9-28-22)17-5-6-25(30-15-17)34-19-7-11-32-12-8-19/h1-6,9-10,13-15,19H,7-8,11-12,16H2,(H2,27,31)
InChIKeyIBOHDBXHLUXNLI-UHFFFAOYSA-N
XLogP3.93
TPSA109.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71241971) is 2-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is NC(=O)c1cccnc1COc1cc(-c2ccc(OC3CCOCC3)nc2)cc2ncccc12.
What is the InChIKey of 2-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is IBOHDBXHLUXNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c27-26(31)21-4-2-10-29-23(21)16-33-24-14-18(13-22-20(24)3-1-9-28-22)17-5-6-25(30-15-17)34-19-7-11-32-12-8-19/h1-6,9-10,13-15,19H,7-8,11-12,16H2,(H2,27,31).
What are the key properties of 2-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71241971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).