2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate

C26H31N3O5 — CID 54697692

IUPAC2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate
SMILESCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCN(CC)CC)cc2)c(O)c2ccccc21
InChIInChI=1S/C26H31N3O5/c1-4-15-29-21-10-8-7-9-20(21)23(30)22(25(29)32)24(31)27-19-13-11-18(12-14-19)26(33)34-17-16-28(5-2)6-3/h7-14,30H,4-6,15-17H2,1-3H3,(H,27,31)
InChIKeyFWAMXXMOIZQQJA-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.87
Rot. Bonds10

About 2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate

2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate (PubChem CID 54697692) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate
PubChem CID54697692
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate
SMILESCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCN(CC)CC)cc2)c(O)c2ccccc21
InChIInChI=1S/C26H31N3O5/c1-4-15-29-21-10-8-7-9-20(21)23(30)22(25(29)32)24(31)27-19-13-11-18(12-14-19)26(33)34-17-16-28(5-2)6-3/h7-14,30H,4-6,15-17H2,1-3H3,(H,27,31)
InChIKeyFWAMXXMOIZQQJA-UHFFFAOYSA-N
XLogP3.87
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate with MolForge

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Related Compounds

propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54683102
ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate
CID 54676600
4-hydroxy-2-oxo-N-(4-propoxyphenyl)-1-propylquinoline-3-carboxamide
CID 54696047
methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54679619
2-(diethylamino)ethyl 4-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 2087793
2-(diethylamino)ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501276
1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
CID 54686346
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54702818
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54681664
N-(2,6-dimethylphenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54678843
4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54684059

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate?
The IUPAC name of 2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate (CID 54697692) is 2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate is CCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCN(CC)CC)cc2)c(O)c2ccccc21.
What is the InChIKey of 2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate?
The InChIKey is FWAMXXMOIZQQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-4-15-29-21-10-8-7-9-20(21)23(30)22(25(29)32)24(31)27-19-13-11-18(12-14-19)26(33)34-17-16-28(5-2)6-3/h7-14,30H,4-6,15-17H2,1-3H3,(H,27,31).
What are the key properties of 2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate?
2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate has a molecular weight of 465.55 g/mol, XLogP of 3.87, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate is sourced from PubChem (CID 54697692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).