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

C19H23ClN4O2 — CID 60592153

IUPAC2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N1CCOCC1
InChIInChI=1S/C19H23ClN4O2/c20-15-1-2-16-17(13-15)21-4-3-18(16)23-7-5-22(6-8-23)14-19(25)24-9-11-26-12-10-24/h1-4,13H,5-12,14H2
InChIKeyIDZNFPHPWBHHSS-UHFFFAOYSA-N
MW374.87 g/mol
LogP1.87
Rot. Bonds3

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

2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 60592153) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID60592153
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N1CCOCC1
InChIInChI=1S/C19H23ClN4O2/c20-15-1-2-16-17(13-15)21-4-3-18(16)23-7-5-22(6-8-23)14-19(25)24-9-11-26-12-10-24/h1-4,13H,5-12,14H2
InChIKeyIDZNFPHPWBHHSS-UHFFFAOYSA-N
XLogP1.87
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone (CID 60592153) is 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N1CCOCC1.
What is the InChIKey of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is IDZNFPHPWBHHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c20-15-1-2-16-17(13-15)21-4-3-18(16)23-7-5-22(6-8-23)14-19(25)24-9-11-26-12-10-24/h1-4,13H,5-12,14H2.
What are the key properties of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 374.87 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 60592153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).