4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide

C18H24N4O5 — CID 54675898

IUPAC4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
SMILESCOc1cc2[nH]c(=O)c(C(=O)NCCN3CCNCC3)c(O)c2cc1OC
InChIInChI=1S/C18H24N4O5/c1-26-13-9-11-12(10-14(13)27-2)21-18(25)15(16(11)23)17(24)20-5-8-22-6-3-19-4-7-22/h9-10,19H,3-8H2,1-2H3,(H,20,24)(H2,21,23,25)
InChIKeyQMGMUOGPVCCFCI-UHFFFAOYSA-N
MW376.41 g/mol
LogP-0.11
Rot. Bonds6

About 4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide

4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide (PubChem CID 54675898) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
PubChem CID54675898
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
SMILESCOc1cc2[nH]c(=O)c(C(=O)NCCN3CCNCC3)c(O)c2cc1OC
InChIInChI=1S/C18H24N4O5/c1-26-13-9-11-12(10-14(13)27-2)21-18(25)15(16(11)23)17(24)20-5-8-22-6-3-19-4-7-22/h9-10,19H,3-8H2,1-2H3,(H,20,24)(H2,21,23,25)
InChIKeyQMGMUOGPVCCFCI-UHFFFAOYSA-N
XLogP-0.11
TPSA115.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54682415
3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium
CID 54675903
butyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium
CID 54675917
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54682420
N-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54703015
4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54679418
3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119445563
3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119445747
prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate
CID 54732863
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777
2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444817
1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride
CID 119447949

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide (CID 54675898) is 4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide is COc1cc2[nH]c(=O)c(C(=O)NCCN3CCNCC3)c(O)c2cc1OC.
What is the InChIKey of 4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide?
The InChIKey is QMGMUOGPVCCFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-26-13-9-11-12(10-14(13)27-2)21-18(25)15(16(11)23)17(24)20-5-8-22-6-3-19-4-7-22/h9-10,19H,3-8H2,1-2H3,(H,20,24)(H2,21,23,25).
What are the key properties of 4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide?
4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide has a molecular weight of 376.41 g/mol, XLogP of -0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54675898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).