4,7,7-trimethyl-N-(2-methylquinolin-8-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C21H24N2O2 — CID 2929275

IUPAC4,7,7-trimethyl-N-(2-methylquinolin-8-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCc1ccc2cccc(NC(=O)C34CCC(C)(C(=O)C3)C4(C)C)c2n1
InChIInChI=1S/C21H24N2O2/c1-13-8-9-14-6-5-7-15(17(14)22-13)23-18(25)21-11-10-20(4,16(24)12-21)19(21,2)3/h5-9H,10-12H2,1-4H3,(H,23,25)
InChIKeyNCGLJRQRWRTXEP-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.27
Rot. Bonds2

About 4,7,7-trimethyl-N-(2-methylquinolin-8-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide

4,7,7-trimethyl-N-(2-methylquinolin-8-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2929275) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4,7,7-trimethyl-N-(2-methylquinolin-8-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name4,7,7-trimethyl-N-(2-methylquinolin-8-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2929275
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4,7,7-trimethyl-N-(2-methylquinolin-8-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCc1ccc2cccc(NC(=O)C34CCC(C)(C(=O)C3)C4(C)C)c2n1
InChIInChI=1S/C21H24N2O2/c1-13-8-9-14-6-5-7-15(17(14)22-13)23-18(25)21-11-10-20(4,16(24)12-21)19(21,2)3/h5-9H,10-12H2,1-4H3,(H,23,25)
InChIKeyNCGLJRQRWRTXEP-UHFFFAOYSA-N
XLogP4.27
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-N-(2-methylquinolin-8-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 4,7,7-trimethyl-N-(2-methylquinolin-8-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 2929275) is 4,7,7-trimethyl-N-(2-methylquinolin-8-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 4,7,7-trimethyl-N-(2-methylquinolin-8-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 4,7,7-trimethyl-N-(2-methylquinolin-8-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide is Cc1ccc2cccc(NC(=O)C34CCC(C)(C(=O)C3)C4(C)C)c2n1.
What is the InChIKey of 4,7,7-trimethyl-N-(2-methylquinolin-8-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is NCGLJRQRWRTXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-13-8-9-14-6-5-7-15(17(14)22-13)23-18(25)21-11-10-20(4,16(24)12-21)19(21,2)3/h5-9H,10-12H2,1-4H3,(H,23,25).
What are the key properties of 4,7,7-trimethyl-N-(2-methylquinolin-8-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
4,7,7-trimethyl-N-(2-methylquinolin-8-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-N-(2-methylquinolin-8-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2929275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).