4-(7-chloroquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

C26H23ClN4O2 — CID 11340108

IUPAC4-(7-chloroquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C26H23ClN4O2/c27-19-6-11-23-24(18-19)28-13-12-25(23)30-14-16-31(17-15-30)26(32)29-20-7-9-22(10-8-20)33-21-4-2-1-3-5-21/h1-13,18H,14-17H2,(H,29,32)
InChIKeyDJYBHPSZFUFPSG-UHFFFAOYSA-N
MW458.95 g/mol
LogP6.03
Rot. Bonds4

About 4-(7-chloroquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

4-(7-chloroquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (PubChem CID 11340108) has the molecular formula C26H23ClN4O2 and a molecular weight of 458.95 g/mol. Its IUPAC name is 4-(7-chloroquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(7-chloroquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
PubChem CID11340108
Molecular FormulaC26H23ClN4O2
Molecular Weight458.95 g/mol
Exact Mass458.15
IUPAC Name4-(7-chloroquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C26H23ClN4O2/c27-19-6-11-23-24(18-19)28-13-12-25(23)30-14-16-31(17-15-30)26(32)29-20-7-9-22(10-8-20)33-21-4-2-1-3-5-21/h1-13,18H,14-17H2,(H,29,32)
InChIKeyDJYBHPSZFUFPSG-UHFFFAOYSA-N
XLogP6.03
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.95
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(7-chloroquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(7-chloroquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (CID 11340108) is 4-(7-chloroquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(7-chloroquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(7-chloroquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 4-(7-chloroquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The InChIKey is DJYBHPSZFUFPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O2/c27-19-6-11-23-24(18-19)28-13-12-25(23)30-14-16-31(17-15-30)26(32)29-20-7-9-22(10-8-20)33-21-4-2-1-3-5-21/h1-13,18H,14-17H2,(H,29,32).
What are the key properties of 4-(7-chloroquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
4-(7-chloroquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide has a molecular weight of 458.95 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11340108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).