2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione

C21H20N2O6 — CID 12012977

IUPAC2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione
SMILESCOc1cc2c(cc1OC)C(=O)c1nc3cc(OC)c(OC)cc3c(=O)n1CC2
InChIInChI=1S/C21H20N2O6/c1-26-15-7-11-5-6-23-20(19(24)12(11)8-16(15)27-2)22-14-10-18(29-4)17(28-3)9-13(14)21(23)25/h7-10H,5-6H2,1-4H3
InChIKeyOGCOYBKRNGYFLW-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.22
Rot. Bonds4

About 2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione

2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione (PubChem CID 12012977) has the molecular formula C21H20N2O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is 2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione.

Molecular Properties

Compound Name2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione
PubChem CID12012977
Molecular FormulaC21H20N2O6
Molecular Weight396.40 g/mol
Exact Mass396.13
IUPAC Name2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione
SMILESCOc1cc2c(cc1OC)C(=O)c1nc3cc(OC)c(OC)cc3c(=O)n1CC2
InChIInChI=1S/C21H20N2O6/c1-26-15-7-11-5-6-23-20(19(24)12(11)8-16(15)27-2)22-14-10-18(29-4)17(28-3)9-13(14)21(23)25/h7-10H,5-6H2,1-4H3
InChIKeyOGCOYBKRNGYFLW-UHFFFAOYSA-N
XLogP2.22
TPSA88.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,3-dimethoxy-5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one
CID 11833790
3-hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
CID 46848859
4-[(2,3-dimethoxy-12-oxo-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-6-ylidene)methyl]benzonitrile
CID 4885199
(4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one
CID 176751936
7-chloro-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 54309252
9,10-dimethoxy-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
CID 54583747
8,9-dimethoxy-3-[(4-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one
CID 92596034
8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 139593043
3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
CID 54705679
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
2-(2,3-dimethylphenoxy)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 20896181
8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine
CID 12748079

Frequently Asked Questions

What is the IUPAC name of 2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione?
The IUPAC name of 2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione (CID 12012977) is 2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione.
What is the SMILES notation for 2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione?
The canonical SMILES for 2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione is COc1cc2c(cc1OC)C(=O)c1nc3cc(OC)c(OC)cc3c(=O)n1CC2.
What is the InChIKey of 2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione?
The InChIKey is OGCOYBKRNGYFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6/c1-26-15-7-11-5-6-23-20(19(24)12(11)8-16(15)27-2)22-14-10-18(29-4)17(28-3)9-13(14)21(23)25/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione?
2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione has a molecular weight of 396.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione is sourced from PubChem (CID 12012977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).