2-[[7-[4-[[acetyl(methyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C26H24N4O3 — CID 71241925

IUPAC2-[[7-[4-[[acetyl(methyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCC(=O)N(C)Cc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1
InChIInChI=1S/C26H24N4O3/c1-17(31)30(2)15-18-7-9-19(10-8-18)20-13-23-21(5-3-11-28-23)25(14-20)33-16-24-22(26(27)32)6-4-12-29-24/h3-14H,15-16H2,1-2H3,(H2,27,32)
InChIKeyFUTDVYQLDHVGCE-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.95
Rot. Bonds7

About 2-[[7-[4-[[acetyl(methyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-[4-[[acetyl(methyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71241925) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[[7-[4-[[acetyl(methyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-[4-[[acetyl(methyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71241925
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name2-[[7-[4-[[acetyl(methyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCC(=O)N(C)Cc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1
InChIInChI=1S/C26H24N4O3/c1-17(31)30(2)15-18-7-9-19(10-8-18)20-13-23-21(5-3-11-28-23)25(14-20)33-16-24-22(26(27)32)6-4-12-29-24/h3-14H,15-16H2,1-2H3,(H2,27,32)
InChIKeyFUTDVYQLDHVGCE-UHFFFAOYSA-N
XLogP3.95
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-[4-[[acetyl(methyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-[4-[[acetyl(methyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71241925) is 2-[[7-[4-[[acetyl(methyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-[4-[[acetyl(methyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-[4-[[acetyl(methyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is CC(=O)N(C)Cc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1.
What is the InChIKey of 2-[[7-[4-[[acetyl(methyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is FUTDVYQLDHVGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-17(31)30(2)15-18-7-9-19(10-8-18)20-13-23-21(5-3-11-28-23)25(14-20)33-16-24-22(26(27)32)6-4-12-29-24/h3-14H,15-16H2,1-2H3,(H2,27,32).
What are the key properties of 2-[[7-[4-[[acetyl(methyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-[4-[[acetyl(methyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[4-[[acetyl(methyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71241925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).