1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide

C25H27N3O2 — CID 7184455

IUPAC1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc2ncc(C(=O)c3ccc(C)c(C)c3)c(N3CCC(C(N)=O)CC3)c2c1
InChIInChI=1S/C25H27N3O2/c1-15-4-7-22-20(12-15)23(28-10-8-18(9-11-28)25(26)30)21(14-27-22)24(29)19-6-5-16(2)17(3)13-19/h4-7,12-14,18H,8-11H2,1-3H3,(H2,26,30)
InChIKeyVTLNFCRFRSVSSU-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.09
Rot. Bonds4

About 1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide

1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide (PubChem CID 7184455) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide
PubChem CID7184455
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc2ncc(C(=O)c3ccc(C)c(C)c3)c(N3CCC(C(N)=O)CC3)c2c1
InChIInChI=1S/C25H27N3O2/c1-15-4-7-22-20(12-15)23(28-10-8-18(9-11-28)25(26)30)21(14-27-22)24(29)19-6-5-16(2)17(3)13-19/h4-7,12-14,18H,8-11H2,1-3H3,(H2,26,30)
InChIKeyVTLNFCRFRSVSSU-UHFFFAOYSA-N
XLogP4.09
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide (CID 7184455) is 1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide is Cc1ccc2ncc(C(=O)c3ccc(C)c(C)c3)c(N3CCC(C(N)=O)CC3)c2c1.
What is the InChIKey of 1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide?
The InChIKey is VTLNFCRFRSVSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-15-4-7-22-20(12-15)23(28-10-8-18(9-11-28)25(26)30)21(14-27-22)24(29)19-6-5-16(2)17(3)13-19/h4-7,12-14,18H,8-11H2,1-3H3,(H2,26,30).
What are the key properties of 1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide?
1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 7184455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).