1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide

C25H25N3O4 — CID 6625180

IUPAC1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)c2cnc3cc4c(cc3c2N2CCC(C(N)=O)CC2)OCO4)cc1C
InChIInChI=1S/C25H25N3O4/c1-14-3-4-17(9-15(14)2)24(29)19-12-27-20-11-22-21(31-13-32-22)10-18(20)23(19)28-7-5-16(6-8-28)25(26)30/h3-4,9-12,16H,5-8,13H2,1-2H3,(H2,26,30)
InChIKeyZLOUJSGKIHURQK-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.51
Rot. Bonds4

About 1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide

1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide (PubChem CID 6625180) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide
PubChem CID6625180
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)c2cnc3cc4c(cc3c2N2CCC(C(N)=O)CC2)OCO4)cc1C
InChIInChI=1S/C25H25N3O4/c1-14-3-4-17(9-15(14)2)24(29)19-12-27-20-11-22-21(31-13-32-22)10-18(20)23(19)28-7-5-16(6-8-28)25(26)30/h3-4,9-12,16H,5-8,13H2,1-2H3,(H2,26,30)
InChIKeyZLOUJSGKIHURQK-UHFFFAOYSA-N
XLogP3.51
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide (CID 6625180) is 1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide is Cc1ccc(C(=O)c2cnc3cc4c(cc3c2N2CCC(C(N)=O)CC2)OCO4)cc1C.
What is the InChIKey of 1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide?
The InChIKey is ZLOUJSGKIHURQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-14-3-4-17(9-15(14)2)24(29)19-12-27-20-11-22-21(31-13-32-22)10-18(20)23(19)28-7-5-16(6-8-28)25(26)30/h3-4,9-12,16H,5-8,13H2,1-2H3,(H2,26,30).
What are the key properties of 1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide?
1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(3,4-dimethylbenzoyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide is sourced from PubChem (CID 6625180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).