N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine

C18H21N3 — CID 79231737

IUPACN-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1Cc1cc(C)nc2ccccc12
InChIInChI=1S/C18H21N3/c1-3-19-12-16-7-6-10-21(16)13-15-11-14(2)20-18-9-5-4-8-17(15)18/h4-11,19H,3,12-13H2,1-2H3
InChIKeyMUGFVBXYGDAYFT-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.50
Rot. Bonds5

About N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine

N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine (PubChem CID 79231737) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine
PubChem CID79231737
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1Cc1cc(C)nc2ccccc12
InChIInChI=1S/C18H21N3/c1-3-19-12-16-7-6-10-21(16)13-15-11-14(2)20-18-9-5-4-8-17(15)18/h4-11,19H,3,12-13H2,1-2H3
InChIKeyMUGFVBXYGDAYFT-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine with MolForge

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Related Compounds

2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine
CID 79240135
N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718858
3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one
CID 79235474
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
2-methyl-4-[(2-methylimidazol-1-yl)methyl]quinoline
CID 78995513
N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 114346652
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402914
N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402923
N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402920
N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66401762
N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine
CID 66402346
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine (CID 79231737) is N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine is CCNCc1cccn1Cc1cc(C)nc2ccccc12.
What is the InChIKey of N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine?
The InChIKey is MUGFVBXYGDAYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-19-12-16-7-6-10-21(16)13-15-11-14(2)20-18-9-5-4-8-17(15)18/h4-11,19H,3,12-13H2,1-2H3.
What are the key properties of N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine?
N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine has a molecular weight of 279.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 79231737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).