2-[ethyl-[2-[(6-fluoroquinolin-4-yl)-methylamino]ethyl]amino]-N-(4-methylphenyl)propanamide

C24H29FN4O — CID 166670948

IUPAC2-[ethyl-[2-[(6-fluoroquinolin-4-yl)-methylamino]ethyl]amino]-N-(4-methylphenyl)propanamide
SMILESCCN(CCN(C)c1ccnc2ccc(F)cc12)C(C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H29FN4O/c1-5-29(18(3)24(30)27-20-9-6-17(2)7-10-20)15-14-28(4)23-12-13-26-22-11-8-19(25)16-21(22)23/h6-13,16,18H,5,14-15H2,1-4H3,(H,27,30)
InChIKeyTUBCHJZUZOXYLZ-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.47
Rot. Bonds8

About 2-[ethyl-[2-[(6-fluoroquinolin-4-yl)-methylamino]ethyl]amino]-N-(4-methylphenyl)propanamide

2-[ethyl-[2-[(6-fluoroquinolin-4-yl)-methylamino]ethyl]amino]-N-(4-methylphenyl)propanamide (PubChem CID 166670948) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[ethyl-[2-[(6-fluoroquinolin-4-yl)-methylamino]ethyl]amino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[ethyl-[2-[(6-fluoroquinolin-4-yl)-methylamino]ethyl]amino]-N-(4-methylphenyl)propanamide
PubChem CID166670948
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name2-[ethyl-[2-[(6-fluoroquinolin-4-yl)-methylamino]ethyl]amino]-N-(4-methylphenyl)propanamide
SMILESCCN(CCN(C)c1ccnc2ccc(F)cc12)C(C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H29FN4O/c1-5-29(18(3)24(30)27-20-9-6-17(2)7-10-20)15-14-28(4)23-12-13-26-22-11-8-19(25)16-21(22)23/h6-13,16,18H,5,14-15H2,1-4H3,(H,27,30)
InChIKeyTUBCHJZUZOXYLZ-UHFFFAOYSA-N
XLogP4.47
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[(6-fluoroquinolin-4-yl)-methylamino]ethyl]amino]-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-[ethyl-[2-[(6-fluoroquinolin-4-yl)-methylamino]ethyl]amino]-N-(4-methylphenyl)propanamide (CID 166670948) is 2-[ethyl-[2-[(6-fluoroquinolin-4-yl)-methylamino]ethyl]amino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-[ethyl-[2-[(6-fluoroquinolin-4-yl)-methylamino]ethyl]amino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-[ethyl-[2-[(6-fluoroquinolin-4-yl)-methylamino]ethyl]amino]-N-(4-methylphenyl)propanamide is CCN(CCN(C)c1ccnc2ccc(F)cc12)C(C)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[ethyl-[2-[(6-fluoroquinolin-4-yl)-methylamino]ethyl]amino]-N-(4-methylphenyl)propanamide?
The InChIKey is TUBCHJZUZOXYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-5-29(18(3)24(30)27-20-9-6-17(2)7-10-20)15-14-28(4)23-12-13-26-22-11-8-19(25)16-21(22)23/h6-13,16,18H,5,14-15H2,1-4H3,(H,27,30).
What are the key properties of 2-[ethyl-[2-[(6-fluoroquinolin-4-yl)-methylamino]ethyl]amino]-N-(4-methylphenyl)propanamide?
2-[ethyl-[2-[(6-fluoroquinolin-4-yl)-methylamino]ethyl]amino]-N-(4-methylphenyl)propanamide has a molecular weight of 408.52 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[(6-fluoroquinolin-4-yl)-methylamino]ethyl]amino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 166670948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).