(4-chlorophenyl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone

C20H17Cl2N3O — CID 1251584

IUPAC(4-chlorophenyl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C20H17Cl2N3O/c21-15-3-1-14(2-4-15)20(26)25-11-9-24(10-12-25)19-7-8-23-18-13-16(22)5-6-17(18)19/h1-8,13H,9-12H2
InChIKeyAAYTXOPXLXAKHP-UHFFFAOYSA-N
MW386.28 g/mol
LogP4.50
Rot. Bonds2

About (4-chlorophenyl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone

(4-chlorophenyl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone (PubChem CID 1251584) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone
PubChem CID1251584
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name(4-chlorophenyl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C20H17Cl2N3O/c21-15-3-1-14(2-4-15)20(26)25-11-9-24(10-12-25)19-7-8-23-18-13-16(22)5-6-17(18)19/h1-8,13H,9-12H2
InChIKeyAAYTXOPXLXAKHP-UHFFFAOYSA-N
XLogP4.50
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone (CID 1251584) is (4-chlorophenyl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone?
The InChIKey is AAYTXOPXLXAKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c21-15-3-1-14(2-4-15)20(26)25-11-9-24(10-12-25)19-7-8-23-18-13-16(22)5-6-17(18)19/h1-8,13H,9-12H2.
What are the key properties of (4-chlorophenyl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone has a molecular weight of 386.28 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 1251584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).