N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide

C18H18N4O2 — CID 171501102

IUPACN-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide
SMILESCC(=O)N(Cc1ccc2ccc(N)nc2c1)c1cccnc1CO
InChIInChI=1S/C18H18N4O2/c1-12(24)22(17-3-2-8-20-16(17)11-23)10-13-4-5-14-6-7-18(19)21-15(14)9-13/h2-9,23H,10-11H2,1H3,(H2,19,21)
InChIKeyASHWJANNNGQAGJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.26
Rot. Bonds4

About N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide

N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide (PubChem CID 171501102) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide
PubChem CID171501102
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide
SMILESCC(=O)N(Cc1ccc2ccc(N)nc2c1)c1cccnc1CO
InChIInChI=1S/C18H18N4O2/c1-12(24)22(17-3-2-8-20-16(17)11-23)10-13-4-5-14-6-7-18(19)21-15(14)9-13/h2-9,23H,10-11H2,1H3,(H2,19,21)
InChIKeyASHWJANNNGQAGJ-UHFFFAOYSA-N
XLogP2.26
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide (CID 171501102) is N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide is CC(=O)N(Cc1ccc2ccc(N)nc2c1)c1cccnc1CO.
What is the InChIKey of N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide?
The InChIKey is ASHWJANNNGQAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12(24)22(17-3-2-8-20-16(17)11-23)10-13-4-5-14-6-7-18(19)21-15(14)9-13/h2-9,23H,10-11H2,1H3,(H2,19,21).
What are the key properties of N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide?
N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 171501102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).