4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride

C19H26ClN3O6 — CID 54677162

IUPAC4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCOc1cc2[nH]c(=O)c(C(=O)NCCCN3CCOCC3)c(O)c2cc1OC.Cl
InChIInChI=1S/C19H25N3O6.ClH/c1-26-14-10-12-13(11-15(14)27-2)21-19(25)16(17(12)23)18(24)20-4-3-5-22-6-8-28-9-7-22;/h10-11H,3-9H2,1-2H3,(H,20,24)(H2,21,23,25);1H
InChIKeyMMOUKGVFFLRXKY-UHFFFAOYSA-N
MW427.89 g/mol
LogP1.12
Rot. Bonds7

About 4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride

4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride (PubChem CID 54677162) has the molecular formula C19H26ClN3O6 and a molecular weight of 427.89 g/mol. Its IUPAC name is 4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
PubChem CID54677162
Molecular FormulaC19H26ClN3O6
Molecular Weight427.89 g/mol
Exact Mass427.15
IUPAC Name4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCOc1cc2[nH]c(=O)c(C(=O)NCCCN3CCOCC3)c(O)c2cc1OC.Cl
InChIInChI=1S/C19H25N3O6.ClH/c1-26-14-10-12-13(11-15(14)27-2)21-19(25)16(17(12)23)18(24)20-4-3-5-22-6-8-28-9-7-22;/h10-11H,3-9H2,1-2H3,(H,20,24)(H2,21,23,25);1H
InChIKeyMMOUKGVFFLRXKY-UHFFFAOYSA-N
XLogP1.12
TPSA113.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 9825181
7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide
CID 11373824
N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11697527
1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 3,4-dimethoxy-benzylamide
CID 54683760
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxo-1-propyl-1,4-dihydroquinoline-3-carboxamide
CID 54706880
3-Cyclohexyl-1-(7-oxo-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-g]quinolin-8-ylmethyl)-1-(tetrahydro-furan-2-ylmethyl)-urea
CID 649722
1-(2-Hydroxy-ethyl)-3-methyl-1-(7-oxo-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-g]quinolin-8-ylmethyl)-thiourea
CID 3176115
1-(2-Hydroxy-ethyl)-3-(3-methoxy-propyl)-1-(7-oxo-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-g]quinolin-8-ylmethyl)-thiourea
CID 3176124
3-Butyl-1-(2-hydroxy-ethyl)-1-(7-oxo-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-g]quinolin-8-ylmethyl)-thiourea
CID 3176130
3-Butyl-1-(3-hydroxy-propyl)-1-(7-oxo-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-g]quinolin-8-ylmethyl)-thiourea
CID 3176152
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea
CID 3194871
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3194885

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride (CID 54677162) is 4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride is COc1cc2[nH]c(=O)c(C(=O)NCCCN3CCOCC3)c(O)c2cc1OC.Cl.
What is the InChIKey of 4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The InChIKey is MMOUKGVFFLRXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6.ClH/c1-26-14-10-12-13(11-15(14)27-2)21-19(25)16(17(12)23)18(24)20-4-3-5-22-6-8-28-9-7-22;/h10-11H,3-9H2,1-2H3,(H,20,24)(H2,21,23,25);1H.
What are the key properties of 4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride?
4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride has a molecular weight of 427.89 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 54677162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).