4-(pyrrol-1-ylmethyl)quinoline

C14H12N2 — CID 79240222

IUPAC4-(pyrrol-1-ylmethyl)quinoline
SMILESc1ccc2c(Cn3cccc3)ccnc2c1
InChIInChI=1S/C14H12N2/c1-2-6-14-13(5-1)12(7-8-15-14)11-16-9-3-4-10-16/h1-10H,11H2
InChIKeyXRWUMJWOINSQQF-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.08
Rot. Bonds2

About 4-(pyrrol-1-ylmethyl)quinoline

4-(pyrrol-1-ylmethyl)quinoline (PubChem CID 79240222) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(pyrrol-1-ylmethyl)quinoline.

Molecular Properties

Compound Name4-(pyrrol-1-ylmethyl)quinoline
PubChem CID79240222
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name4-(pyrrol-1-ylmethyl)quinoline
SMILESc1ccc2c(Cn3cccc3)ccnc2c1
InChIInChI=1S/C14H12N2/c1-2-6-14-13(5-1)12(7-8-15-14)11-16-9-3-4-10-16/h1-10H,11H2
InChIKeyXRWUMJWOINSQQF-UHFFFAOYSA-N
XLogP3.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 79240540
1-(quinolin-4-ylmethyl)imidazole-4-sulfonyl chloride
CID 82911409
4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline
CID 79240800
3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one
CID 79235393
cyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol
CID 79231730
1-(quinolin-4-ylmethyl)piperidin-4-one
CID 79235169
methyl 1-(quinolin-4-ylmethyl)pyrrole-2-carboxylate
CID 154695130
N-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine
CID 79985482
1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione
CID 79241293
N-(quinolin-4-ylmethyl)aniline
CID 57199115
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
N-methoxy-1-quinolin-4-ylmethanamine
CID 79235633

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrol-1-ylmethyl)quinoline?
The IUPAC name of 4-(pyrrol-1-ylmethyl)quinoline (CID 79240222) is 4-(pyrrol-1-ylmethyl)quinoline.
What is the SMILES notation for 4-(pyrrol-1-ylmethyl)quinoline?
The canonical SMILES for 4-(pyrrol-1-ylmethyl)quinoline is c1ccc2c(Cn3cccc3)ccnc2c1.
What is the InChIKey of 4-(pyrrol-1-ylmethyl)quinoline?
The InChIKey is XRWUMJWOINSQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-6-14-13(5-1)12(7-8-15-14)11-16-9-3-4-10-16/h1-10H,11H2.
What are the key properties of 4-(pyrrol-1-ylmethyl)quinoline?
4-(pyrrol-1-ylmethyl)quinoline has a molecular weight of 208.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrol-1-ylmethyl)quinoline is sourced from PubChem (CID 79240222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).