1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one

C19H29N3O — CID 95414968

IUPAC1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCc2cc(CCN3CCNCC3)ccc21
InChIInChI=1S/C19H29N3O/c1-2-4-19(23)22-11-3-5-17-15-16(6-7-18(17)22)8-12-21-13-9-20-10-14-21/h6-7,15,20H,2-5,8-14H2,1H3
InChIKeyPPNQXGGNILMIRF-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.21
Rot. Bonds5

About 1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one

1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one (PubChem CID 95414968) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
PubChem CID95414968
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCc2cc(CCN3CCNCC3)ccc21
InChIInChI=1S/C19H29N3O/c1-2-4-19(23)22-11-3-5-17-15-16(6-7-18(17)22)8-12-21-13-9-20-10-14-21/h6-7,15,20H,2-5,8-14H2,1H3
InChIKeyPPNQXGGNILMIRF-UHFFFAOYSA-N
XLogP2.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one with MolForge

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Related Compounds

1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82260070
1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82260237
1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one
CID 28707300
7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline
CID 82263573
1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid
CID 82260327
1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid
CID 82260406
1-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]pentan-1-one
CID 82260573
1-butanoyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
CID 82021448
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82259061
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole
CID 116997078

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one?
The IUPAC name of 1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one (CID 95414968) is 1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one.
What is the SMILES notation for 1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one?
The canonical SMILES for 1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one is CCCC(=O)N1CCCc2cc(CCN3CCNCC3)ccc21.
What is the InChIKey of 1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one?
The InChIKey is PPNQXGGNILMIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-4-19(23)22-11-3-5-17-15-16(6-7-18(17)22)8-12-21-13-9-20-10-14-21/h6-7,15,20H,2-5,8-14H2,1H3.
What are the key properties of 1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one?
1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one has a molecular weight of 315.46 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one is sourced from PubChem (CID 95414968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).