7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one

C23H22FN3O3 — CID 67224428

IUPAC7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(C)CC1C(=O)Nc2cc(F)ccc2N1C(=O)COc1cccc2cnccc12
InChIInChI=1S/C23H22FN3O3/c1-14(2)10-20-23(29)26-18-11-16(24)6-7-19(18)27(20)22(28)13-30-21-5-3-4-15-12-25-9-8-17(15)21/h3-9,11-12,14,20H,10,13H2,1-2H3,(H,26,29)
InChIKeySWHDFOQSOBRBTF-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.15
Rot. Bonds5

About 7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one

7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 67224428) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one
PubChem CID67224428
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(C)CC1C(=O)Nc2cc(F)ccc2N1C(=O)COc1cccc2cnccc12
InChIInChI=1S/C23H22FN3O3/c1-14(2)10-20-23(29)26-18-11-16(24)6-7-19(18)27(20)22(28)13-30-21-5-3-4-15-12-25-9-8-17(15)21/h3-9,11-12,14,20H,10,13H2,1-2H3,(H,26,29)
InChIKeySWHDFOQSOBRBTF-UHFFFAOYSA-N
XLogP4.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3,3-dimethyl-2-oxoquinoxalin-1-yl]acetic acid
CID 67178161
7-fluoro-3,3-dimethyl-4-[2-(1-methylisoquinolin-5-yl)oxyacetyl]-1H-quinoxalin-2-one
CID 67179548
N-(2-chloro-4-fluorophenyl)-2-isoquinolin-5-yloxy-N-pentan-3-ylacetamide
CID 46937484
2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
CID 84629074
(2S)-1-isoquinolin-5-yloxypropan-2-amine
CID 69075857
2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide
CID 143072918
2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide
CID 34310081
N-[(1R)-1-(4-fluorophenyl)propyl]-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 25461135
N-(2-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 23958803
(4S)-6-fluoro-N-(isoquinolin-5-ylmethyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97131542
1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-naphthalen-1-yloxyethanone
CID 171682081
3-(isoquinolin-5-yloxymethyl)benzoic acid
CID 12902801

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one (CID 67224428) is 7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one is CC(C)CC1C(=O)Nc2cc(F)ccc2N1C(=O)COc1cccc2cnccc12.
What is the InChIKey of 7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is SWHDFOQSOBRBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-14(2)10-20-23(29)26-18-11-16(24)6-7-19(18)27(20)22(28)13-30-21-5-3-4-15-12-25-9-8-17(15)21/h3-9,11-12,14,20H,10,13H2,1-2H3,(H,26,29).
What are the key properties of 7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one?
7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 407.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 67224428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).