N-[4-[2-(1-hydroxy-3-methylbutyl)quinolin-8-yl]-2-pyridinyl]acetamide

C21H23N3O2 — CID 135333927

IUPACN-[4-[2-(1-hydroxy-3-methylbutyl)quinolin-8-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc3ccc(C(O)CC(C)C)nc23)ccn1
InChIInChI=1S/C21H23N3O2/c1-13(2)11-19(26)18-8-7-15-5-4-6-17(21(15)24-18)16-9-10-22-20(12-16)23-14(3)25/h4-10,12-13,19,26H,11H2,1-3H3,(H,22,23,25)
InChIKeyNSBQWSHIDXVMMU-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.33
Rot. Bonds5

About N-[4-[2-(1-hydroxy-3-methylbutyl)quinolin-8-yl]-2-pyridinyl]acetamide

N-[4-[2-(1-hydroxy-3-methylbutyl)quinolin-8-yl]-2-pyridinyl]acetamide (PubChem CID 135333927) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[4-[2-(1-hydroxy-3-methylbutyl)quinolin-8-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(1-hydroxy-3-methylbutyl)quinolin-8-yl]-2-pyridinyl]acetamide
PubChem CID135333927
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[4-[2-(1-hydroxy-3-methylbutyl)quinolin-8-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc3ccc(C(O)CC(C)C)nc23)ccn1
InChIInChI=1S/C21H23N3O2/c1-13(2)11-19(26)18-8-7-15-5-4-6-17(21(15)24-18)16-9-10-22-20(12-16)23-14(3)25/h4-10,12-13,19,26H,11H2,1-3H3,(H,22,23,25)
InChIKeyNSBQWSHIDXVMMU-UHFFFAOYSA-N
XLogP4.33
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-hydroxy-3-methylbutyl)quinolin-8-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-(1-hydroxy-3-methylbutyl)quinolin-8-yl]-2-pyridinyl]acetamide (CID 135333927) is N-[4-[2-(1-hydroxy-3-methylbutyl)quinolin-8-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-(1-hydroxy-3-methylbutyl)quinolin-8-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-(1-hydroxy-3-methylbutyl)quinolin-8-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cccc3ccc(C(O)CC(C)C)nc23)ccn1.
What is the InChIKey of N-[4-[2-(1-hydroxy-3-methylbutyl)quinolin-8-yl]-2-pyridinyl]acetamide?
The InChIKey is NSBQWSHIDXVMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13(2)11-19(26)18-8-7-15-5-4-6-17(21(15)24-18)16-9-10-22-20(12-16)23-14(3)25/h4-10,12-13,19,26H,11H2,1-3H3,(H,22,23,25).
What are the key properties of N-[4-[2-(1-hydroxy-3-methylbutyl)quinolin-8-yl]-2-pyridinyl]acetamide?
N-[4-[2-(1-hydroxy-3-methylbutyl)quinolin-8-yl]-2-pyridinyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-hydroxy-3-methylbutyl)quinolin-8-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 135333927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).