2,4,6-trimethyl-N-(2-methylquinolin-8-yl)-N-propylbenzamide

C23H26N2O — CID 163213830

IUPAC2,4,6-trimethyl-N-(2-methylquinolin-8-yl)-N-propylbenzamide
SMILESCCCN(C(=O)c1c(C)cc(C)cc1C)c1cccc2ccc(C)nc12
InChIInChI=1S/C23H26N2O/c1-6-12-25(23(26)21-16(3)13-15(2)14-17(21)4)20-9-7-8-19-11-10-18(5)24-22(19)20/h7-11,13-14H,6,12H2,1-5H3
InChIKeyTTWXEODMPQJGFM-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.53
Rot. Bonds4

About 2,4,6-trimethyl-N-(2-methylquinolin-8-yl)-N-propylbenzamide

2,4,6-trimethyl-N-(2-methylquinolin-8-yl)-N-propylbenzamide (PubChem CID 163213830) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(2-methylquinolin-8-yl)-N-propylbenzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(2-methylquinolin-8-yl)-N-propylbenzamide
PubChem CID163213830
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name2,4,6-trimethyl-N-(2-methylquinolin-8-yl)-N-propylbenzamide
SMILESCCCN(C(=O)c1c(C)cc(C)cc1C)c1cccc2ccc(C)nc12
InChIInChI=1S/C23H26N2O/c1-6-12-25(23(26)21-16(3)13-15(2)14-17(21)4)20-9-7-8-19-11-10-18(5)24-22(19)20/h7-11,13-14H,6,12H2,1-5H3
InChIKeyTTWXEODMPQJGFM-UHFFFAOYSA-N
XLogP5.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(2-methylquinolin-8-yl)-N-propylbenzamide?
The IUPAC name of 2,4,6-trimethyl-N-(2-methylquinolin-8-yl)-N-propylbenzamide (CID 163213830) is 2,4,6-trimethyl-N-(2-methylquinolin-8-yl)-N-propylbenzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(2-methylquinolin-8-yl)-N-propylbenzamide?
The canonical SMILES for 2,4,6-trimethyl-N-(2-methylquinolin-8-yl)-N-propylbenzamide is CCCN(C(=O)c1c(C)cc(C)cc1C)c1cccc2ccc(C)nc12.
What is the InChIKey of 2,4,6-trimethyl-N-(2-methylquinolin-8-yl)-N-propylbenzamide?
The InChIKey is TTWXEODMPQJGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-6-12-25(23(26)21-16(3)13-15(2)14-17(21)4)20-9-7-8-19-11-10-18(5)24-22(19)20/h7-11,13-14H,6,12H2,1-5H3.
What are the key properties of 2,4,6-trimethyl-N-(2-methylquinolin-8-yl)-N-propylbenzamide?
2,4,6-trimethyl-N-(2-methylquinolin-8-yl)-N-propylbenzamide has a molecular weight of 346.47 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(2-methylquinolin-8-yl)-N-propylbenzamide is sourced from PubChem (CID 163213830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).