1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone

C17H16N2O — CID 79240684

IUPAC1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone
SMILESCC(=O)c1ccn(Cc2cc(C)nc3ccccc23)c1
InChIInChI=1S/C17H16N2O/c1-12-9-15(16-5-3-4-6-17(16)18-12)11-19-8-7-14(10-19)13(2)20/h3-10H,11H2,1-2H3
InChIKeyULYPXEUIOAXEBV-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.60
Rot. Bonds3

About 1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone

1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone (PubChem CID 79240684) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone
PubChem CID79240684
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone
SMILESCC(=O)c1ccn(Cc2cc(C)nc3ccccc23)c1
InChIInChI=1S/C17H16N2O/c1-12-9-15(16-5-3-4-6-17(16)18-12)11-19-8-7-14(10-19)13(2)20/h3-10H,11H2,1-2H3
InChIKeyULYPXEUIOAXEBV-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde
CID 106716499
5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrrole-3-carboxylic acid
CID 79231432
methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate
CID 22282550
1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]ethanone
CID 79106510
2-ethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79425482
N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718858
1-[(2-methylquinolin-4-yl)methyl]triazole-4-carbaldehyde
CID 79240975
2-methyl-4-[(2-methylimidazol-1-yl)methyl]quinoline
CID 78995513
3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one
CID 79235474
2-methyl-4-(2-methylbut-2-enyl)quinoline
CID 123480246
2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone (CID 79240684) is 1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone is CC(=O)c1ccn(Cc2cc(C)nc3ccccc23)c1.
What is the InChIKey of 1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone?
The InChIKey is ULYPXEUIOAXEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-9-15(16-5-3-4-6-17(16)18-12)11-19-8-7-14(10-19)13(2)20/h3-10H,11H2,1-2H3.
What are the key properties of 1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone?
1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone has a molecular weight of 264.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone is sourced from PubChem (CID 79240684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).