(4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one

C20H18N2O5 — CID 99998264

IUPAC(4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one
SMILESCOc1cc2c(c(OC)c1OC)[C@@H](c1ccc3nccnc3c1)CC(=O)O2
InChIInChI=1S/C20H18N2O5/c1-24-16-10-15-18(20(26-3)19(16)25-2)12(9-17(23)27-15)11-4-5-13-14(8-11)22-7-6-21-13/h4-8,10,12H,9H2,1-3H3/t12-/m1/s1
InChIKeyAIKQHRVWTCCBKA-GFCCVEGCSA-N
MW366.37 g/mol
LogP3.10
Rot. Bonds4

About (4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one

(4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one (PubChem CID 99998264) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is (4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name(4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one
PubChem CID99998264
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name(4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one
SMILESCOc1cc2c(c(OC)c1OC)[C@@H](c1ccc3nccnc3c1)CC(=O)O2
InChIInChI=1S/C20H18N2O5/c1-24-16-10-15-18(20(26-3)19(16)25-2)12(9-17(23)27-15)11-4-5-13-14(8-11)22-7-6-21-13/h4-8,10,12H,9H2,1-3H3/t12-/m1/s1
InChIKeyAIKQHRVWTCCBKA-GFCCVEGCSA-N
XLogP3.10
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-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

5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one
CID 102564922
4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one
CID 102564866
(4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540077
(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045635
(4S)-5,7-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540112
(4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540146
(4S)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 121484594
(9R)-9-(3,4,5-trimethoxyphenyl)-8,9-dihydropyrano[2,3-g][2,1,3]benzothiadiazol-7-one
CID 97489387
(10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 125123899
(4S)-5-hydroxy-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 71533318
(10S)-5-hydroxy-3-(4-hydroxyphenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424518
ethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate
CID 99983804

Frequently Asked Questions

What is the IUPAC name of (4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one?
The IUPAC name of (4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one (CID 99998264) is (4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one.
What is the SMILES notation for (4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one?
The canonical SMILES for (4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one is COc1cc2c(c(OC)c1OC)[C@@H](c1ccc3nccnc3c1)CC(=O)O2.
What is the InChIKey of (4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one?
The InChIKey is AIKQHRVWTCCBKA-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-24-16-10-15-18(20(26-3)19(16)25-2)12(9-17(23)27-15)11-4-5-13-14(8-11)22-7-6-21-13/h4-8,10,12H,9H2,1-3H3/t12-/m1/s1.
What are the key properties of (4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one?
(4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one has a molecular weight of 366.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 99998264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).