2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one

C18H18N2O — CID 79108258

IUPAC2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one
SMILESCC(C)C(=O)c1ccn(Cc2cccc3cccnc23)c1
InChIInChI=1S/C18H18N2O/c1-13(2)18(21)16-8-10-20(12-16)11-15-6-3-5-14-7-4-9-19-17(14)15/h3-10,12-13H,11H2,1-2H3
InChIKeyPJTBBHICMHHEHY-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.92
Rot. Bonds4

About 2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one

2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one (PubChem CID 79108258) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one
PubChem CID79108258
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one
SMILESCC(C)C(=O)c1ccn(Cc2cccc3cccnc23)c1
InChIInChI=1S/C18H18N2O/c1-13(2)18(21)16-8-10-20(12-16)11-15-6-3-5-14-7-4-9-19-17(14)15/h3-10,12-13H,11H2,1-2H3
InChIKeyPJTBBHICMHHEHY-UHFFFAOYSA-N
XLogP3.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one
CID 79098174
N-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine
CID 79098765
1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 66404673
1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 79109445
2-methyl-1-[1-[(2-methyl-3-nitrophenyl)methyl]pyrrol-3-yl]propan-1-one
CID 79109700
8-[(5-methyltetrazol-1-yl)methyl]quinoline
CID 75512940
1-[1-[(3-bromophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 79108990
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
1-[1-(2-hydroxypropyl)pyrrol-3-yl]-2-methylpropan-1-one
CID 79097506
3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one (CID 79108258) is 2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one is CC(C)C(=O)c1ccn(Cc2cccc3cccnc23)c1.
What is the InChIKey of 2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one?
The InChIKey is PJTBBHICMHHEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13(2)18(21)16-8-10-20(12-16)11-15-6-3-5-14-7-4-9-19-17(14)15/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one?
2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one has a molecular weight of 278.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one is sourced from PubChem (CID 79108258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).