N-[3-(hydroxymethyl)-8-methylquinolin-7-yl]acetamide

C13H14N2O2 — CID 18436184

IUPACN-[3-(hydroxymethyl)-8-methylquinolin-7-yl]acetamide
SMILESCC(=O)Nc1ccc2cc(CO)cnc2c1C
InChIInChI=1S/C13H14N2O2/c1-8-12(15-9(2)17)4-3-11-5-10(7-16)6-14-13(8)11/h3-6,16H,7H2,1-2H3,(H,15,17)
InChIKeyHUCWPNBBRXYMAY-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.99
Rot. Bonds2

About N-[3-(hydroxymethyl)-8-methylquinolin-7-yl]acetamide

N-[3-(hydroxymethyl)-8-methylquinolin-7-yl]acetamide (PubChem CID 18436184) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-8-methylquinolin-7-yl]acetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-8-methylquinolin-7-yl]acetamide
PubChem CID18436184
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-[3-(hydroxymethyl)-8-methylquinolin-7-yl]acetamide
SMILESCC(=O)Nc1ccc2cc(CO)cnc2c1C
InChIInChI=1S/C13H14N2O2/c1-8-12(15-9(2)17)4-3-11-5-10(7-16)6-14-13(8)11/h3-6,16H,7H2,1-2H3,(H,15,17)
InChIKeyHUCWPNBBRXYMAY-UHFFFAOYSA-N
XLogP1.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-8-methylquinolin-7-yl]acetamide?
The IUPAC name of N-[3-(hydroxymethyl)-8-methylquinolin-7-yl]acetamide (CID 18436184) is N-[3-(hydroxymethyl)-8-methylquinolin-7-yl]acetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-8-methylquinolin-7-yl]acetamide?
The canonical SMILES for N-[3-(hydroxymethyl)-8-methylquinolin-7-yl]acetamide is CC(=O)Nc1ccc2cc(CO)cnc2c1C.
What is the InChIKey of N-[3-(hydroxymethyl)-8-methylquinolin-7-yl]acetamide?
The InChIKey is HUCWPNBBRXYMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-12(15-9(2)17)4-3-11-5-10(7-16)6-14-13(8)11/h3-6,16H,7H2,1-2H3,(H,15,17).
What are the key properties of N-[3-(hydroxymethyl)-8-methylquinolin-7-yl]acetamide?
N-[3-(hydroxymethyl)-8-methylquinolin-7-yl]acetamide has a molecular weight of 230.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-8-methylquinolin-7-yl]acetamide is sourced from PubChem (CID 18436184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).