sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate

C19H25N2NaO4 — CID 141269409

IUPACsodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate
SMILESCOc1cc2c(CC[O-])ccnc2cc1OCCCN1CCOCC1.[Na+]
InChIInChI=1S/C19H25N2O4.Na/c1-23-18-13-16-15(4-9-22)3-5-20-17(16)14-19(18)25-10-2-6-21-7-11-24-12-8-21;/h3,5,13-14H,2,4,6-12H2,1H3;/q-1;+1
InChIKeyKQQQMNVBIRCZCK-UHFFFAOYSA-N
MW368.41 g/mol
LogP-1.75
Rot. Bonds8

About sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate

sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate (PubChem CID 141269409) has the molecular formula C19H25N2NaO4 and a molecular weight of 368.41 g/mol. Its IUPAC name is sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate.

Molecular Properties

Compound Namesodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate
PubChem CID141269409
Molecular FormulaC19H25N2NaO4
Molecular Weight368.41 g/mol
Exact Mass368.17
IUPAC Namesodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate
SMILESCOc1cc2c(CC[O-])ccnc2cc1OCCCN1CCOCC1.[Na+]
InChIInChI=1S/C19H25N2O4.Na/c1-23-18-13-16-15(4-9-22)3-5-20-17(16)14-19(18)25-10-2-6-21-7-11-24-12-8-21;/h3,5,13-14H,2,4,6-12H2,1H3;/q-1;+1
InChIKeyKQQQMNVBIRCZCK-UHFFFAOYSA-N
XLogP-1.75
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 5-1.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[4-(3-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 141064103
2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol
CID 54167934
7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 174738355
4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine
CID 144689103
6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 149186313
5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile
CID 71498615
4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 123411897
4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine
CID 141264542
4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine
CID 162666117
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
6-methoxy-N-(5-methyl-2-pyridinyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 142051918
7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-pyridin-3-ylquinazolin-4-amine
CID 151014604

Frequently Asked Questions

What is the IUPAC name of sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate?
The IUPAC name of sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate (CID 141269409) is sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate.
What is the SMILES notation for sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate?
The canonical SMILES for sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate is COc1cc2c(CC[O-])ccnc2cc1OCCCN1CCOCC1.[Na+].
What is the InChIKey of sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate?
The InChIKey is KQQQMNVBIRCZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N2O4.Na/c1-23-18-13-16-15(4-9-22)3-5-20-17(16)14-19(18)25-10-2-6-21-7-11-24-12-8-21;/h3,5,13-14H,2,4,6-12H2,1H3;/q-1;+1.
What are the key properties of sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate?
sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate has a molecular weight of 368.41 g/mol, XLogP of -1.75, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate is sourced from PubChem (CID 141269409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).