8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline

C16H16N2 — CID 81423655

IUPAC8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
SMILESCc1ccc(C)n1Cc1cccc2cccnc12
InChIInChI=1S/C16H16N2/c1-12-8-9-13(2)18(12)11-15-6-3-5-14-7-4-10-17-16(14)15/h3-10H,11H2,1-2H3
InChIKeyJICPIUHOHULJNS-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.70
Rot. Bonds2

About 8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline

8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline (PubChem CID 81423655) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline.

Molecular Properties

Compound Name8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
PubChem CID81423655
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
SMILESCc1ccc(C)n1Cc1cccc2cccnc12
InChIInChI=1S/C16H16N2/c1-12-8-9-13(2)18(12)11-15-6-3-5-14-7-4-10-17-16(14)15/h3-10H,11H2,1-2H3
InChIKeyJICPIUHOHULJNS-UHFFFAOYSA-N
XLogP3.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline
CID 60982843
8-[(5-methyltetrazol-1-yl)methyl]quinoline
CID 75512940
8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline
CID 63926675
5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine
CID 79542110
1-(quinolin-8-ylmethyl)pyrrole-2,5-dione
CID 81428770
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione
CID 81423514
1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine
CID 54929663
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
aluminum quinolin-8-ylmethanol
CID 23124809

Frequently Asked Questions

What is the IUPAC name of 8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline?
The IUPAC name of 8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline (CID 81423655) is 8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline.
What is the SMILES notation for 8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline?
The canonical SMILES for 8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline is Cc1ccc(C)n1Cc1cccc2cccnc12.
What is the InChIKey of 8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline?
The InChIKey is JICPIUHOHULJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-8-9-13(2)18(12)11-15-6-3-5-14-7-4-10-17-16(14)15/h3-10H,11H2,1-2H3.
What are the key properties of 8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline?
8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline has a molecular weight of 236.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline is sourced from PubChem (CID 81423655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).