1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone

C21H29ClN4O — CID 134130907

IUPAC1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone
SMILESCCCN(CCC)CC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C21H29ClN4O/c1-3-9-24(10-4-2)16-21(27)26-13-11-25(12-14-26)20-7-8-23-19-15-17(22)5-6-18(19)20/h5-8,15H,3-4,9-14,16H2,1-2H3
InChIKeyMGXXDRQALNSMSR-UHFFFAOYSA-N
MW388.94 g/mol
LogP3.66
Rot. Bonds7

About 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone

1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone (PubChem CID 134130907) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone.

Molecular Properties

Compound Name1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone
PubChem CID134130907
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC Name1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone
SMILESCCCN(CCC)CC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C21H29ClN4O/c1-3-9-24(10-4-2)16-21(27)26-13-11-25(12-14-26)20-7-8-23-19-15-17(22)5-6-18(19)20/h5-8,15H,3-4,9-14,16H2,1-2H3
InChIKeyMGXXDRQALNSMSR-UHFFFAOYSA-N
XLogP3.66
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone with MolForge

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Related Compounds

1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one
CID 57389220
1,9-bis[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]nonane-1,9-dione
CID 10748618
5-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid
CID 10816810
1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-3-piperidin-1-ylpropan-1-one
CID 10438408
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 46227121
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide
CID 42704553
ethyl 2-[4-(7-chloroquinolin-4-yl)-1,4-diazepan-1-yl]acetate
CID 133346351
4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 21101797
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 57389219
7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride
CID 68858916
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone?
The IUPAC name of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone (CID 134130907) is 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone.
What is the SMILES notation for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone?
The canonical SMILES for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone is CCCN(CCC)CC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone?
The InChIKey is MGXXDRQALNSMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O/c1-3-9-24(10-4-2)16-21(27)26-13-11-25(12-14-26)20-7-8-23-19-15-17(22)5-6-18(19)20/h5-8,15H,3-4,9-14,16H2,1-2H3.
What are the key properties of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone?
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone has a molecular weight of 388.94 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone is sourced from PubChem (CID 134130907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).