N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide

C20H27ClN4O — CID 42704553

IUPACN-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide
SMILESCCCCC(=O)NCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C20H27ClN4O/c1-2-3-4-20(26)23-9-10-24-11-13-25(14-12-24)19-7-8-22-18-15-16(21)5-6-17(18)19/h5-8,15H,2-4,9-14H2,1H3,(H,23,26)
InChIKeyKWPRGLHNDKXXLF-UHFFFAOYSA-N
MW374.92 g/mol
LogP3.32
Rot. Bonds7

About N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide

N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide (PubChem CID 42704553) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide
PubChem CID42704553
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC NameN-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide
SMILESCCCCC(=O)NCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C20H27ClN4O/c1-2-3-4-20(26)23-9-10-24-11-13-25(14-12-24)19-7-8-22-18-15-16(21)5-6-17(18)19/h5-8,15H,2-4,9-14H2,1H3,(H,23,26)
InChIKeyKWPRGLHNDKXXLF-UHFFFAOYSA-N
XLogP3.32
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one
CID 57389220
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
1,9-bis[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]nonane-1,9-dione
CID 10748618
1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-3-piperidin-1-ylpropan-1-one
CID 10438408
7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline
CID 125340732
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814
5-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid
CID 10816810
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone
CID 134130907
N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide
CID 42705893
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
ethyl 2-[4-(7-chloroquinolin-4-yl)-1,4-diazepan-1-yl]acetate
CID 133346351

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide?
The IUPAC name of N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide (CID 42704553) is N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide.
What is the SMILES notation for N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide?
The canonical SMILES for N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide is CCCCC(=O)NCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide?
The InChIKey is KWPRGLHNDKXXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O/c1-2-3-4-20(26)23-9-10-24-11-13-25(14-12-24)19-7-8-22-18-15-16(21)5-6-17(18)19/h5-8,15H,2-4,9-14H2,1H3,(H,23,26).
What are the key properties of N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide?
N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide has a molecular weight of 374.92 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide is sourced from PubChem (CID 42704553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).