N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide

C20H19N3O2 — CID 163929096

IUPACN-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2cc(Cc3cc(C(C)=O)ccn3)ccc2n1
InChIInChI=1S/C20H19N3O2/c1-13(24)16-7-8-21-19(11-16)10-15-3-6-20-17(9-15)4-5-18(23-20)12-22-14(2)25/h3-9,11H,10,12H2,1-2H3,(H,22,25)
InChIKeyRHDOORYOPKRKSV-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.06
Rot. Bonds5

About N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide

N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide (PubChem CID 163929096) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide
PubChem CID163929096
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2cc(Cc3cc(C(C)=O)ccn3)ccc2n1
InChIInChI=1S/C20H19N3O2/c1-13(24)16-7-8-21-19(11-16)10-15-3-6-20-17(9-15)4-5-18(23-20)12-22-14(2)25/h3-9,11H,10,12H2,1-2H3,(H,22,25)
InChIKeyRHDOORYOPKRKSV-UHFFFAOYSA-N
XLogP3.06
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide?
The IUPAC name of N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide (CID 163929096) is N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide is CC(=O)NCc1ccc2cc(Cc3cc(C(C)=O)ccn3)ccc2n1.
What is the InChIKey of N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide?
The InChIKey is RHDOORYOPKRKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13(24)16-7-8-21-19(11-16)10-15-3-6-20-17(9-15)4-5-18(23-20)12-22-14(2)25/h3-9,11H,10,12H2,1-2H3,(H,22,25).
What are the key properties of N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide?
N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide is sourced from PubChem (CID 163929096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).