4-butyl-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide

C25H31N3O — CID 15987778

IUPAC4-butyl-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc3nc(N(CC)CC)cc(C)c3c2)cc1
InChIInChI=1S/C25H31N3O/c1-5-8-9-19-10-12-20(13-11-19)25(29)26-21-14-15-23-22(17-21)18(4)16-24(27-23)28(6-2)7-3/h10-17H,5-9H2,1-4H3,(H,26,29)
InChIKeyYCIJYURDIUPMLP-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.98
Rot. Bonds8

About 4-butyl-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide

4-butyl-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide (PubChem CID 15987778) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 4-butyl-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide
PubChem CID15987778
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name4-butyl-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc3nc(N(CC)CC)cc(C)c3c2)cc1
InChIInChI=1S/C25H31N3O/c1-5-8-9-19-10-12-20(13-11-19)25(29)26-21-14-15-23-22(17-21)18(4)16-24(27-23)28(6-2)7-3/h10-17H,5-9H2,1-4H3,(H,26,29)
InChIKeyYCIJYURDIUPMLP-UHFFFAOYSA-N
XLogP5.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide?
The IUPAC name of 4-butyl-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide (CID 15987778) is 4-butyl-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide.
What is the SMILES notation for 4-butyl-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide?
The canonical SMILES for 4-butyl-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide is CCCCc1ccc(C(=O)Nc2ccc3nc(N(CC)CC)cc(C)c3c2)cc1.
What is the InChIKey of 4-butyl-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide?
The InChIKey is YCIJYURDIUPMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-5-8-9-19-10-12-20(13-11-19)25(29)26-21-14-15-23-22(17-21)18(4)16-24(27-23)28(6-2)7-3/h10-17H,5-9H2,1-4H3,(H,26,29).
What are the key properties of 4-butyl-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide?
4-butyl-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide has a molecular weight of 389.54 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide is sourced from PubChem (CID 15987778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).