N-[2-(3-formyl-8-methylquinolin-2-yl)phenyl]acetamide

C19H16N2O2 — CID 87307305

IUPACN-[2-(3-formyl-8-methylquinolin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nc2c(C)cccc2cc1C=O
InChIInChI=1S/C19H16N2O2/c1-12-6-5-7-14-10-15(11-22)19(21-18(12)14)16-8-3-4-9-17(16)20-13(2)23/h3-11H,1-2H3,(H,20,23)
InChIKeyNTSBTFFYGSHXFZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.98
Rot. Bonds3

About N-[2-(3-formyl-8-methylquinolin-2-yl)phenyl]acetamide

N-[2-(3-formyl-8-methylquinolin-2-yl)phenyl]acetamide (PubChem CID 87307305) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[2-(3-formyl-8-methylquinolin-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-formyl-8-methylquinolin-2-yl)phenyl]acetamide
PubChem CID87307305
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-[2-(3-formyl-8-methylquinolin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nc2c(C)cccc2cc1C=O
InChIInChI=1S/C19H16N2O2/c1-12-6-5-7-14-10-15(11-22)19(21-18(12)14)16-8-3-4-9-17(16)20-13(2)23/h3-11H,1-2H3,(H,20,23)
InChIKeyNTSBTFFYGSHXFZ-UHFFFAOYSA-N
XLogP3.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-formyl-8-methylquinolin-2-yl)phenyl]acetamide?
The IUPAC name of N-[2-(3-formyl-8-methylquinolin-2-yl)phenyl]acetamide (CID 87307305) is N-[2-(3-formyl-8-methylquinolin-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(3-formyl-8-methylquinolin-2-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(3-formyl-8-methylquinolin-2-yl)phenyl]acetamide is CC(=O)Nc1ccccc1-c1nc2c(C)cccc2cc1C=O.
What is the InChIKey of N-[2-(3-formyl-8-methylquinolin-2-yl)phenyl]acetamide?
The InChIKey is NTSBTFFYGSHXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-12-6-5-7-14-10-15(11-22)19(21-18(12)14)16-8-3-4-9-17(16)20-13(2)23/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-[2-(3-formyl-8-methylquinolin-2-yl)phenyl]acetamide?
N-[2-(3-formyl-8-methylquinolin-2-yl)phenyl]acetamide has a molecular weight of 304.35 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-formyl-8-methylquinolin-2-yl)phenyl]acetamide is sourced from PubChem (CID 87307305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).