1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine

C16H17N3 — CID 79102695

IUPAC1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine
SMILESCC(N)c1ccn(Cc2ccc3ccccc3n2)c1
InChIInChI=1S/C16H17N3/c1-12(17)14-8-9-19(10-14)11-15-7-6-13-4-2-3-5-16(13)18-15/h2-10,12H,11,17H2,1H3
InChIKeyCNVRJCLYWJYNLK-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.10
Rot. Bonds3

About 1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine

1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine (PubChem CID 79102695) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine
PubChem CID79102695
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine
SMILESCC(N)c1ccn(Cc2ccc3ccccc3n2)c1
InChIInChI=1S/C16H17N3/c1-12(17)14-8-9-19(10-14)11-15-7-6-13-4-2-3-5-16(13)18-15/h2-10,12H,11,17H2,1H3
InChIKeyCNVRJCLYWJYNLK-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(quinolin-2-ylmethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404327
N-methyl-1-[1-(quinolin-2-ylmethyl)pyrrol-2-yl]ethanamine
CID 79102748
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097126
4-methyl-1-quinolin-2-ylpentan-2-amine
CID 43118767
2-[[4-(1-chloroethyl)triazol-1-yl]methyl]quinoline
CID 81448345
1-(quinolin-2-ylmethylsulfonyl)propan-2-amine
CID 81189101
1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-3-yl]ethanamine
CID 79102092
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934
N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66193959
2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride
CID 119929201

Frequently Asked Questions

What is the IUPAC name of 1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine?
The IUPAC name of 1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine (CID 79102695) is 1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine?
The canonical SMILES for 1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine is CC(N)c1ccn(Cc2ccc3ccccc3n2)c1.
What is the InChIKey of 1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine?
The InChIKey is CNVRJCLYWJYNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12(17)14-8-9-19(10-14)11-15-7-6-13-4-2-3-5-16(13)18-15/h2-10,12H,11,17H2,1H3.
What are the key properties of 1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine?
1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine is sourced from PubChem (CID 79102695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).