2,8,9-trimethoxy-11H-chromeno[4,3-b]indol-6-one

C18H15NO5 — CID 102496787

IUPAC2,8,9-trimethoxy-11H-chromeno[4,3-b]indol-6-one
SMILESCOc1ccc2oc(=O)c3c4cc(OC)c(OC)cc4[nH]c3c2c1
InChIInChI=1S/C18H15NO5/c1-21-9-4-5-13-11(6-9)17-16(18(20)24-13)10-7-14(22-2)15(23-3)8-12(10)19-17/h4-8,19H,1-3H3
InChIKeyHVPIJZVNARXFLP-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.45
Rot. Bonds3

About 2,8,9-trimethoxy-11H-chromeno[4,3-b]indol-6-one

2,8,9-trimethoxy-11H-chromeno[4,3-b]indol-6-one (PubChem CID 102496787) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2,8,9-trimethoxy-11H-chromeno[4,3-b]indol-6-one.

Molecular Properties

Compound Name2,8,9-trimethoxy-11H-chromeno[4,3-b]indol-6-one
PubChem CID102496787
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name2,8,9-trimethoxy-11H-chromeno[4,3-b]indol-6-one
SMILESCOc1ccc2oc(=O)c3c4cc(OC)c(OC)cc4[nH]c3c2c1
InChIInChI=1S/C18H15NO5/c1-21-9-4-5-13-11(6-9)17-16(18(20)24-13)10-7-14(22-2)15(23-3)8-12(10)19-17/h4-8,19H,1-3H3
InChIKeyHVPIJZVNARXFLP-UHFFFAOYSA-N
XLogP3.45
TPSA73.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 110272886
2,3,5,6,8,9-hexamethoxy-11,12-dihydroindolo[2,3-a]carbazole
CID 171935893
7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
CID 21216832
7-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 14381997
2-hydroxy-11-methoxy-7H-chromeno[3,4-b]indol-6-one
CID 57381338
2-chloro-8,9-dimethoxybenzo[c]chromen-6-one
CID 164686324
3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate
CID 163117362
3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one
CID 102407236
17-methoxy-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione
CID 11067046
5,16-dimethoxy-9,20-dioxaheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10,12,14(28),15,17,19(27),21,23,25-tridecaene
CID 53382046
1-ethyl-6,7-dimethoxy-9H-carbazole
CID 23270445
7-methoxy-4-oxahexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1(14),2(11),5(10),6,8,12,15,17,19,21,23,25-dodecaen-3-one
CID 118617499

Frequently Asked Questions

What is the IUPAC name of 2,8,9-trimethoxy-11H-chromeno[4,3-b]indol-6-one?
The IUPAC name of 2,8,9-trimethoxy-11H-chromeno[4,3-b]indol-6-one (CID 102496787) is 2,8,9-trimethoxy-11H-chromeno[4,3-b]indol-6-one.
What is the SMILES notation for 2,8,9-trimethoxy-11H-chromeno[4,3-b]indol-6-one?
The canonical SMILES for 2,8,9-trimethoxy-11H-chromeno[4,3-b]indol-6-one is COc1ccc2oc(=O)c3c4cc(OC)c(OC)cc4[nH]c3c2c1.
What is the InChIKey of 2,8,9-trimethoxy-11H-chromeno[4,3-b]indol-6-one?
The InChIKey is HVPIJZVNARXFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-21-9-4-5-13-11(6-9)17-16(18(20)24-13)10-7-14(22-2)15(23-3)8-12(10)19-17/h4-8,19H,1-3H3.
What are the key properties of 2,8,9-trimethoxy-11H-chromeno[4,3-b]indol-6-one?
2,8,9-trimethoxy-11H-chromeno[4,3-b]indol-6-one has a molecular weight of 325.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,9-trimethoxy-11H-chromeno[4,3-b]indol-6-one is sourced from PubChem (CID 102496787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).