6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride

C19H27BrClN3O3 — CID 126479642

IUPAC6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride
SMILESCCCn1c(=O)c(C(=O)NCCN(CC)CC)c(O)c2cc(Br)ccc21.Cl
InChIInChI=1S/C19H26BrN3O3.ClH/c1-4-10-23-15-8-7-13(20)12-14(15)17(24)16(19(23)26)18(25)21-9-11-22(5-2)6-3;/h7-8,12,24H,4-6,9-11H2,1-3H3,(H,21,25);1H
InChIKeyQXOGIOMTWRJVJM-UHFFFAOYSA-N
MW460.80 g/mol
LogP3.37
Rot. Bonds8

About 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride

6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride (PubChem CID 126479642) has the molecular formula C19H27BrClN3O3 and a molecular weight of 460.80 g/mol. Its IUPAC name is 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride
PubChem CID126479642
Molecular FormulaC19H27BrClN3O3
Molecular Weight460.80 g/mol
Exact Mass459.09
IUPAC Name6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride
SMILESCCCn1c(=O)c(C(=O)NCCN(CC)CC)c(O)c2cc(Br)ccc21.Cl
InChIInChI=1S/C19H26BrN3O3.ClH/c1-4-10-23-15-8-7-13(20)12-14(15)17(24)16(19(23)26)18(25)21-9-11-22(5-2)6-3;/h7-8,12,24H,4-6,9-11H2,1-3H3,(H,21,25);1H
InChIKeyQXOGIOMTWRJVJM-UHFFFAOYSA-N
XLogP3.37
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.80
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54702818
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54688406
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride
CID 54750247
N-[2-(dimethylamino)ethyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54736678
1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685643
6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54707079
2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium
CID 54697176
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate
CID 54697692
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54706880
4-bromo-N-[2-(diethylamino)ethyl]-2-sulfanylbenzamide
CID 107019687

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride?
The IUPAC name of 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride (CID 126479642) is 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride is CCCn1c(=O)c(C(=O)NCCN(CC)CC)c(O)c2cc(Br)ccc21.Cl.
What is the InChIKey of 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride?
The InChIKey is QXOGIOMTWRJVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3O3.ClH/c1-4-10-23-15-8-7-13(20)12-14(15)17(24)16(19(23)26)18(25)21-9-11-22(5-2)6-3;/h7-8,12,24H,4-6,9-11H2,1-3H3,(H,21,25);1H.
What are the key properties of 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride?
6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride has a molecular weight of 460.80 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 126479642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).