2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine

C19H28N4 — CID 133401112

IUPAC2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine
SMILESCCc1cc(NCC(C)N2CCN(C)CC2)c2ccccc2n1
InChIInChI=1S/C19H28N4/c1-4-16-13-19(17-7-5-6-8-18(17)21-16)20-14-15(2)23-11-9-22(3)10-12-23/h5-8,13,15H,4,9-12,14H2,1-3H3,(H,20,21)
InChIKeyUWQWXHSWRZPBPH-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.85
Rot. Bonds5

About 2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine

2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine (PubChem CID 133401112) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine
PubChem CID133401112
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine
SMILESCCc1cc(NCC(C)N2CCN(C)CC2)c2ccccc2n1
InChIInChI=1S/C19H28N4/c1-4-16-13-19(17-7-5-6-8-18(17)21-16)20-14-15(2)23-11-9-22(3)10-12-23/h5-8,13,15H,4,9-12,14H2,1-3H3,(H,20,21)
InChIKeyUWQWXHSWRZPBPH-UHFFFAOYSA-N
XLogP2.85
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-ethylquinolin-4-yl)amino]-4-methylpentan-2-ol
CID 133402239
3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine
CID 133301516
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739
2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol
CID 133402118
2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile
CID 96528544
2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]quinolin-4-amine
CID 133401471
5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133289522
2-ethyl-4-propan-2-ylquinoline
CID 144871804
N-(2-morpholin-4-ylpropyl)-4-phenylquinolin-2-amine
CID 51114016
6-fluoro-N-[2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine
CID 133301548
2-ethyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]quinolin-4-amine
CID 133404990
2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine
CID 166383106

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine?
The IUPAC name of 2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine (CID 133401112) is 2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine.
What is the SMILES notation for 2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine?
The canonical SMILES for 2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine is CCc1cc(NCC(C)N2CCN(C)CC2)c2ccccc2n1.
What is the InChIKey of 2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine?
The InChIKey is UWQWXHSWRZPBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-4-16-13-19(17-7-5-6-8-18(17)21-16)20-14-15(2)23-11-9-22(3)10-12-23/h5-8,13,15H,4,9-12,14H2,1-3H3,(H,20,21).
What are the key properties of 2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine?
2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine has a molecular weight of 312.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine is sourced from PubChem (CID 133401112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).