4-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-N-phenylpiperazine-1-carboxamide

C23H22Cl2N4O3 — CID 24518366

IUPAC4-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-N-phenylpiperazine-1-carboxamide
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)c2n1
InChIInChI=1S/C23H22Cl2N4O3/c1-15-7-8-17-18(24)13-19(25)22(21(17)26-15)32-14-20(30)28-9-11-29(12-10-28)23(31)27-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,27,31)
InChIKeyFBHGBPMIVNGDAH-UHFFFAOYSA-N
MW473.36 g/mol
LogP4.61
Rot. Bonds4

About 4-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-N-phenylpiperazine-1-carboxamide

4-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 24518366) has the molecular formula C23H22Cl2N4O3 and a molecular weight of 473.36 g/mol. Its IUPAC name is 4-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-N-phenylpiperazine-1-carboxamide
PubChem CID24518366
Molecular FormulaC23H22Cl2N4O3
Molecular Weight473.36 g/mol
Exact Mass472.11
IUPAC Name4-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-N-phenylpiperazine-1-carboxamide
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)c2n1
InChIInChI=1S/C23H22Cl2N4O3/c1-15-7-8-17-18(24)13-19(25)22(21(17)26-15)32-14-20(30)28-9-11-29(12-10-28)23(31)27-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,27,31)
InChIKeyFBHGBPMIVNGDAH-UHFFFAOYSA-N
XLogP4.61
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-N-phenylpiperazine-1-carboxamide (CID 24518366) is 4-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-N-phenylpiperazine-1-carboxamide is Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)c2n1.
What is the InChIKey of 4-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is FBHGBPMIVNGDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O3/c1-15-7-8-17-18(24)13-19(25)22(21(17)26-15)32-14-20(30)28-9-11-29(12-10-28)23(31)27-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,27,31).
What are the key properties of 4-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-N-phenylpiperazine-1-carboxamide?
4-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 473.36 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 24518366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).