N-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine

C17H19N3 — CID 66414166

IUPACN-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine
SMILESCCn1ccc(CNc2ccc(C)c3ncccc23)c1
InChIInChI=1S/C17H19N3/c1-3-20-10-8-14(12-20)11-19-16-7-6-13(2)17-15(16)5-4-9-18-17/h4-10,12,19H,3,11H2,1-2H3
InChIKeyJPFOQCKGNRAYIF-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.98
Rot. Bonds4

About N-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine

N-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine (PubChem CID 66414166) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine
PubChem CID66414166
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine
SMILESCCn1ccc(CNc2ccc(C)c3ncccc23)c1
InChIInChI=1S/C17H19N3/c1-3-20-10-8-14(12-20)11-19-16-7-6-13(2)17-15(16)5-4-9-18-17/h4-10,12,19H,3,11H2,1-2H3
InChIKeyJPFOQCKGNRAYIF-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(8-methylquinolin-5-yl)amino]methyl]phenol
CID 43731510
8-methyl-N-[(1-methyltriazol-4-yl)methyl]quinolin-5-amine
CID 55113701
5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol
CID 66416710
N-[(4-bromo-3-fluorophenyl)methyl]-8-methylquinolin-5-amine
CID 81431405
8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine
CID 115743584
8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine
CID 66130149
N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine
CID 62134419
N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine
CID 43731505
N-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine
CID 115380059
N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine
CID 66415969
N-[(1-ethylpyrrol-3-yl)methyl]-2-iodoaniline
CID 66398837
2-[(1-ethylpyrrol-3-yl)methylamino]-6-methylbenzonitrile
CID 107803182

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine?
The IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine (CID 66414166) is N-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine?
The canonical SMILES for N-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine is CCn1ccc(CNc2ccc(C)c3ncccc23)c1.
What is the InChIKey of N-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine?
The InChIKey is JPFOQCKGNRAYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-20-10-8-14(12-20)11-19-16-7-6-13(2)17-15(16)5-4-9-18-17/h4-10,12,19H,3,11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine?
N-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine has a molecular weight of 265.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-3-yl)methyl]-8-methylquinolin-5-amine is sourced from PubChem (CID 66414166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).