8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline

C17H18N2 — CID 63926675

IUPAC8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline
SMILESCc1cn(Cc2cccc3cccnc23)c(C)c1C
InChIInChI=1S/C17H18N2/c1-12-10-19(14(3)13(12)2)11-16-7-4-6-15-8-5-9-18-17(15)16/h4-10H,11H2,1-3H3
InChIKeyBFNWDEIESFATNM-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.01
Rot. Bonds2

About 8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline

8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline (PubChem CID 63926675) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline.

Molecular Properties

Compound Name8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline
PubChem CID63926675
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline
SMILESCc1cn(Cc2cccc3cccnc23)c(C)c1C
InChIInChI=1S/C17H18N2/c1-12-10-19(14(3)13(12)2)11-16-7-4-6-15-8-5-9-18-17(15)16/h4-10H,11H2,1-3H3
InChIKeyBFNWDEIESFATNM-UHFFFAOYSA-N
XLogP4.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
CID 81423655
5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione
CID 81423514
2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole
CID 63926468
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine
CID 79542110
5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione
CID 66329338
8-[(5-methyltetrazol-1-yl)methyl]quinoline
CID 75512940
8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline
CID 60982843
1-(quinolin-8-ylmethyl)pyrazol-4-amine
CID 28774951
1-(quinolin-8-ylmethyl)pyrrole-2-carbaldehyde
CID 66410307
1-(quinolin-8-ylmethyl)pyrrole-2,5-dione
CID 81428770
3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one
CID 107017504

Frequently Asked Questions

What is the IUPAC name of 8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline?
The IUPAC name of 8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline (CID 63926675) is 8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline.
What is the SMILES notation for 8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline?
The canonical SMILES for 8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline is Cc1cn(Cc2cccc3cccnc23)c(C)c1C.
What is the InChIKey of 8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline?
The InChIKey is BFNWDEIESFATNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-12-10-19(14(3)13(12)2)11-16-7-4-6-15-8-5-9-18-17(15)16/h4-10H,11H2,1-3H3.
What are the key properties of 8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline?
8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline has a molecular weight of 250.34 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline is sourced from PubChem (CID 63926675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).