N-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide

C23H21N3O2 — CID 169411661

IUPACN-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide
SMILESCNC(=O)Cc1ccc2nc(-c3cc4ccc(C)cc4[nH]c3=O)cc(C)c2c1
InChIInChI=1S/C23H21N3O2/c1-13-4-6-16-12-18(23(28)26-20(16)8-13)21-9-14(2)17-10-15(11-22(27)24-3)5-7-19(17)25-21/h4-10,12H,11H2,1-3H3,(H,24,27)(H,26,28)
InChIKeySWULGDYCCURSEH-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.65
Rot. Bonds3

About N-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide

N-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide (PubChem CID 169411661) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide
PubChem CID169411661
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide
SMILESCNC(=O)Cc1ccc2nc(-c3cc4ccc(C)cc4[nH]c3=O)cc(C)c2c1
InChIInChI=1S/C23H21N3O2/c1-13-4-6-16-12-18(23(28)26-20(16)8-13)21-9-14(2)17-10-15(11-22(27)24-3)5-7-19(17)25-21/h4-10,12H,11H2,1-3H3,(H,24,27)(H,26,28)
InChIKeySWULGDYCCURSEH-UHFFFAOYSA-N
XLogP3.65
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide?
The IUPAC name of N-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide (CID 169411661) is N-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide is CNC(=O)Cc1ccc2nc(-c3cc4ccc(C)cc4[nH]c3=O)cc(C)c2c1.
What is the InChIKey of N-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide?
The InChIKey is SWULGDYCCURSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-13-4-6-16-12-18(23(28)26-20(16)8-13)21-9-14(2)17-10-15(11-22(27)24-3)5-7-19(17)25-21/h4-10,12H,11H2,1-3H3,(H,24,27)(H,26,28).
What are the key properties of N-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide?
N-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-methyl-2-(7-methyl-2-oxo-1H-quinolin-3-yl)quinolin-6-yl]acetamide is sourced from PubChem (CID 169411661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).