N-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine

C17H19N3 — CID 79098765

IUPACN-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine
SMILESCNC(C)c1ccn(Cc2cccc3cccnc23)c1
InChIInChI=1S/C17H19N3/c1-13(18-2)15-8-10-20(11-15)12-16-6-3-5-14-7-4-9-19-17(14)16/h3-11,13,18H,12H2,1-2H3
InChIKeyWQUDXARFOJRTQP-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.37
Rot. Bonds4

About N-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine

N-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine (PubChem CID 79098765) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine
PubChem CID79098765
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine
SMILESCNC(C)c1ccn(Cc2cccc3cccnc23)c1
InChIInChI=1S/C17H19N3/c1-13(18-2)15-8-10-20(11-15)12-16-6-3-5-14-7-4-9-19-17(14)16/h3-11,13,18H,12H2,1-2H3
InChIKeyWQUDXARFOJRTQP-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one
CID 79108258
1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 66404673
1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one
CID 79098174
8-[(5-methyltetrazol-1-yl)methyl]quinoline
CID 75512940
8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
CID 81423655
(1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine
CID 28644871
N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79097378
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanamine
CID 79099727
8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline
CID 60982843
N-(2-methylpropyl)-1-(quinolin-8-ylmethyl)imidazol-2-amine
CID 106577448
N-methyl-1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanamine
CID 63854973

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine (CID 79098765) is N-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine is CNC(C)c1ccn(Cc2cccc3cccnc23)c1.
What is the InChIKey of N-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine?
The InChIKey is WQUDXARFOJRTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13(18-2)15-8-10-20(11-15)12-16-6-3-5-14-7-4-9-19-17(14)16/h3-11,13,18H,12H2,1-2H3.
What are the key properties of N-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine?
N-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine is sourced from PubChem (CID 79098765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).