1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine

C22H27N3S — CID 45224577

IUPAC1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine
SMILESCCN1CCCC1CNCc1cc2cccc(C)c2nc1-c1cccs1
InChIInChI=1S/C22H27N3S/c1-3-25-11-5-9-19(25)15-23-14-18-13-17-8-4-7-16(2)21(17)24-22(18)20-10-6-12-26-20/h4,6-8,10,12-13,19,23H,3,5,9,11,14-15H2,1-2H3
InChIKeyHAZKGOKWKUMRIT-UHFFFAOYSA-N
MW365.55 g/mol
LogP4.85
Rot. Bonds6

About 1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine

1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine (PubChem CID 45224577) has the molecular formula C22H27N3S and a molecular weight of 365.55 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine
PubChem CID45224577
Molecular FormulaC22H27N3S
Molecular Weight365.55 g/mol
Exact Mass365.19
IUPAC Name1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine
SMILESCCN1CCCC1CNCc1cc2cccc(C)c2nc1-c1cccs1
InChIInChI=1S/C22H27N3S/c1-3-25-11-5-9-19(25)15-23-14-18-13-17-8-4-7-16(2)21(17)24-22(18)20-10-6-12-26-20/h4,6-8,10,12-13,19,23H,3,5,9,11,14-15H2,1-2H3
InChIKeyHAZKGOKWKUMRIT-UHFFFAOYSA-N
XLogP4.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine
CID 26275669
1-(1-ethylpyrrolidin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233239
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine
CID 42365015
1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 3157138
N-[(2,5-dimethylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 60657747
1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 78992422
N-[(4-chloro-2-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 113461461
1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine;oxalic acid
CID 17053126
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51947532
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine
CID 70717828
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 115761462

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine (CID 45224577) is 1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine is CCN1CCCC1CNCc1cc2cccc(C)c2nc1-c1cccs1.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine?
The InChIKey is HAZKGOKWKUMRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3S/c1-3-25-11-5-9-19(25)15-23-14-18-13-17-8-4-7-16(2)21(17)24-22(18)20-10-6-12-26-20/h4,6-8,10,12-13,19,23H,3,5,9,11,14-15H2,1-2H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine?
1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine has a molecular weight of 365.55 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine is sourced from PubChem (CID 45224577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).