1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one

C23H26FN3O4 — CID 141436126

IUPAC1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one
SMILESCOc1cc2ncc(=O)n(Cc3ccc(F)cc3)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C23H26FN3O4/c1-29-21-13-19-20(14-22(21)31-10-2-7-26-8-11-30-12-9-26)27(23(28)15-25-19)16-17-3-5-18(24)6-4-17/h3-6,13-15H,2,7-12,16H2,1H3
InChIKeyDKIKOMZVGYVVJN-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.69
Rot. Bonds8

About 1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one

1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one (PubChem CID 141436126) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one
PubChem CID141436126
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC Name1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one
SMILESCOc1cc2ncc(=O)n(Cc3ccc(F)cc3)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C23H26FN3O4/c1-29-21-13-19-20(14-22(21)31-10-2-7-26-8-11-30-12-9-26)27(23(28)15-25-19)16-17-3-5-18(24)6-4-17/h3-6,13-15H,2,7-12,16H2,1H3
InChIKeyDKIKOMZVGYVVJN-UHFFFAOYSA-N
XLogP2.69
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethoxyquinoxalin-2-one
CID 167878078
4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine
CID 141264542
7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 174738355
4-[3-[4-(3-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 141064103
4-(4-chloro-2-fluoroanilino)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 10140112
N-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 71614729
2-[(4-fluorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one
CID 20604540
5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one
CID 144805379
2-(4-fluorophenyl)-1-[1-[2-[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-methylphenyl]acetyl]cyclopropyl]ethanone
CID 58065231
6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 149186313
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one (CID 141436126) is 1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one is COc1cc2ncc(=O)n(Cc3ccc(F)cc3)c2cc1OCCCN1CCOCC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one?
The InChIKey is DKIKOMZVGYVVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4/c1-29-21-13-19-20(14-22(21)31-10-2-7-26-8-11-30-12-9-26)27(23(28)15-25-19)16-17-3-5-18(24)6-4-17/h3-6,13-15H,2,7-12,16H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one?
1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one has a molecular weight of 427.48 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one is sourced from PubChem (CID 141436126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).