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

C23H18Cl2N4O — CID 31399795

IUPAC(2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)nc2ccccc12)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C23H18Cl2N4O/c24-15-5-6-17-20(13-15)26-8-7-21(17)28-9-11-29(12-10-28)23(30)18-14-22(25)27-19-4-2-1-3-16(18)19/h1-8,13-14H,9-12H2
InChIKeyXDBZKHPJCHZRMP-UHFFFAOYSA-N
MW437.33 g/mol
LogP5.05
Rot. Bonds2

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

(2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone (PubChem CID 31399795) has the molecular formula C23H18Cl2N4O and a molecular weight of 437.33 g/mol. Its IUPAC name is (2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone
PubChem CID31399795
Molecular FormulaC23H18Cl2N4O
Molecular Weight437.33 g/mol
Exact Mass436.09
IUPAC Name(2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)nc2ccccc12)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C23H18Cl2N4O/c24-15-5-6-17-20(13-15)26-8-7-21(17)28-9-11-29(12-10-28)23(30)18-14-22(25)27-19-4-2-1-3-16(18)19/h1-8,13-14H,9-12H2
InChIKeyXDBZKHPJCHZRMP-UHFFFAOYSA-N
XLogP5.05
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.33
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone (CID 31399795) is (2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone is O=C(c1cc(Cl)nc2ccccc12)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of (2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone?
The InChIKey is XDBZKHPJCHZRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O/c24-15-5-6-17-20(13-15)26-8-7-21(17)28-9-11-29(12-10-28)23(30)18-14-22(25)27-19-4-2-1-3-16(18)19/h1-8,13-14H,9-12H2.
What are the key properties of (2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone?
(2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone has a molecular weight of 437.33 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 31399795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).