N-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride

C19H26ClN3O5 — CID 54735632

IUPACN-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride
SMILESC=CCn1c(=O)c(C(=O)NCCN(C)C)c(O)c2cc(OC)c(OC)cc21.Cl
InChIInChI=1S/C19H25N3O5.ClH/c1-6-8-22-13-11-15(27-5)14(26-4)10-12(13)17(23)16(19(22)25)18(24)20-7-9-21(2)3;/h6,10-11,23H,1,7-9H2,2-5H3,(H,20,24);1H
InChIKeySVJGGWWEFNSATB-UHFFFAOYSA-N
MW411.89 g/mol
LogP1.62
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride

N-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride (PubChem CID 54735632) has the molecular formula C19H26ClN3O5 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride
PubChem CID54735632
Molecular FormulaC19H26ClN3O5
Molecular Weight411.89 g/mol
Exact Mass411.16
IUPAC NameN-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride
SMILESC=CCn1c(=O)c(C(=O)NCCN(C)C)c(O)c2cc(OC)c(OC)cc21.Cl
InChIInChI=1S/C19H25N3O5.ClH/c1-6-8-22-13-11-15(27-5)14(26-4)10-12(13)17(23)16(19(22)25)18(24)20-7-9-21(2)3;/h6,10-11,23H,1,7-9H2,2-5H3,(H,20,24);1H
InChIKeySVJGGWWEFNSATB-UHFFFAOYSA-N
XLogP1.62
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium
CID 54693303
N-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54679671
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 71506124
N-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54679672
N-[(4-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54679686
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54693300
disodium bis(3-carboxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinolin-4-olate)
CID 70611924
N-[2-(dimethylamino)ethyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54736678
N-(2-chloroethyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54684051
N-[2-(dimethylamino)ethyl]-2,4,6-trimethoxybenzamide
CID 110764619
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54688406
4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 135632207

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride (CID 54735632) is N-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride is C=CCn1c(=O)c(C(=O)NCCN(C)C)c(O)c2cc(OC)c(OC)cc21.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride?
The InChIKey is SVJGGWWEFNSATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5.ClH/c1-6-8-22-13-11-15(27-5)14(26-4)10-12(13)17(23)16(19(22)25)18(24)20-7-9-21(2)3;/h6,10-11,23H,1,7-9H2,2-5H3,(H,20,24);1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride has a molecular weight of 411.89 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 54735632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).