7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline

C18H29N3 — CID 82263573

IUPAC7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline
SMILESCCCN1CCCc2ccc(CCN3CCNCC3)cc21
InChIInChI=1S/C18H29N3/c1-2-10-21-11-3-4-17-6-5-16(15-18(17)21)7-12-20-13-8-19-9-14-20/h5-6,15,19H,2-4,7-14H2,1H3
InChIKeyDWHFTYYVKMQZPC-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.30
Rot. Bonds5

About 7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline

7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline (PubChem CID 82263573) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline
PubChem CID82263573
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline
SMILESCCCN1CCCc2ccc(CCN3CCNCC3)cc21
InChIInChI=1S/C18H29N3/c1-2-10-21-11-3-4-17-6-5-16(15-18(17)21)7-12-20-13-8-19-9-14-20/h5-6,15,19H,2-4,7-14H2,1H3
InChIKeyDWHFTYYVKMQZPC-UHFFFAOYSA-N
XLogP2.30
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
1,2,3,4-Tetrahydroquinoline
CID 69460
1-(1-Naphthyl)piperazine
CID 1342
1-(2,3-Xylyl)piperazine
CID 70541
2-Mepp
CID 91965
1-(3,4-Xylyl)piperazine
CID 2723782
1,2,3,4-Tetrahydro-4-methylquinoline
CID 86854
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
1-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazine
CID 98698
1-(2-Ethylphenyl)piperazine
CID 2736460
1-Biphenyl-3-yl-piperazine
CID 2756712
9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 18520432

Frequently Asked Questions

What is the IUPAC name of 7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline (CID 82263573) is 7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline is CCCN1CCCc2ccc(CCN3CCNCC3)cc21.
What is the InChIKey of 7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline?
The InChIKey is DWHFTYYVKMQZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-10-21-11-3-4-17-6-5-16(15-18(17)21)7-12-20-13-8-19-9-14-20/h5-6,15,19H,2-4,7-14H2,1H3.
What are the key properties of 7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline?
7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline has a molecular weight of 287.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 82263573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).