2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C19H23ClN4O — CID 91937923

IUPAC2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N1CCCC1
InChIInChI=1S/C19H23ClN4O/c20-15-3-4-16-17(13-15)21-6-5-18(16)23-11-9-22(10-12-23)14-19(25)24-7-1-2-8-24/h3-6,13H,1-2,7-12,14H2
InChIKeyOBBLGGTVVLXSCX-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.63
Rot. Bonds3

About 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 91937923) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID91937923
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N1CCCC1
InChIInChI=1S/C19H23ClN4O/c20-15-3-4-16-17(13-15)21-6-5-18(16)23-11-9-22(10-12-23)14-19(25)24-7-1-2-8-24/h3-6,13H,1-2,7-12,14H2
InChIKeyOBBLGGTVVLXSCX-UHFFFAOYSA-N
XLogP2.63
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 91937923) is 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N1CCCC1.
What is the InChIKey of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is OBBLGGTVVLXSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-15-3-4-16-17(13-15)21-6-5-18(16)23-11-9-22(10-12-23)14-19(25)24-7-1-2-8-24/h3-6,13H,1-2,7-12,14H2.
What are the key properties of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 358.87 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 91937923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).