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

C17H19N3 — CID 79102748

IUPACN-methyl-1-[1-(quinolin-2-ylmethyl)pyrrol-2-yl]ethanamine
SMILESCNC(C)c1cccn1Cc1ccc2ccccc2n1
InChIInChI=1S/C17H19N3/c1-13(18-2)17-8-5-11-20(17)12-15-10-9-14-6-3-4-7-16(14)19-15/h3-11,13,18H,12H2,1-2H3
InChIKeyPMFZCFNDIYANTB-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.37
Rot. Bonds4

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

N-methyl-1-[1-(quinolin-2-ylmethyl)pyrrol-2-yl]ethanamine (PubChem CID 79102748) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-1-[1-(quinolin-2-ylmethyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(quinolin-2-ylmethyl)pyrrol-2-yl]ethanamine
PubChem CID79102748
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-methyl-1-[1-(quinolin-2-ylmethyl)pyrrol-2-yl]ethanamine
SMILESCNC(C)c1cccn1Cc1ccc2ccccc2n1
InChIInChI=1S/C17H19N3/c1-13(18-2)17-8-5-11-20(17)12-15-10-9-14-6-3-4-7-16(14)19-15/h3-11,13,18H,12H2,1-2H3
InChIKeyPMFZCFNDIYANTB-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

1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 82896153
1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79101642
N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102152
1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine
CID 79102695
1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine
CID 82928163
1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine
CID 116790170
N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 62222148
N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]ethanamine
CID 115515148
N-methyl-1-[1-(quinolin-2-ylmethyl)piperidin-3-yl]ethanamine
CID 63852699
N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine
CID 62222860
2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid
CID 82898259
3-ethoxy-N,4-dimethyl-1-quinolin-2-ylpentan-2-amine
CID 116721300

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(quinolin-2-ylmethyl)pyrrol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(quinolin-2-ylmethyl)pyrrol-2-yl]ethanamine (CID 79102748) is N-methyl-1-[1-(quinolin-2-ylmethyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(quinolin-2-ylmethyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(quinolin-2-ylmethyl)pyrrol-2-yl]ethanamine is CNC(C)c1cccn1Cc1ccc2ccccc2n1.
What is the InChIKey of N-methyl-1-[1-(quinolin-2-ylmethyl)pyrrol-2-yl]ethanamine?
The InChIKey is PMFZCFNDIYANTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13(18-2)17-8-5-11-20(17)12-15-10-9-14-6-3-4-7-16(14)19-15/h3-11,13,18H,12H2,1-2H3.
What are the key properties of N-methyl-1-[1-(quinolin-2-ylmethyl)pyrrol-2-yl]ethanamine?
N-methyl-1-[1-(quinolin-2-ylmethyl)pyrrol-2-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-2-ylmethyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79102748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).