7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one

C11H9N3O2 — CID 135764700

IUPAC7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one
SMILESCOc1ccc2c(c1)[nH]c1c(=O)[nH]ncc12
InChIInChI=1S/C11H9N3O2/c1-16-6-2-3-7-8-5-12-14-11(15)10(8)13-9(7)4-6/h2-5,13H,1H3,(H,14,15)
InChIKeyFZXGORBQPXWVPI-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.41
Rot. Bonds1

About 7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one

7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one (PubChem CID 135764700) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one
PubChem CID135764700
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one
SMILESCOc1ccc2c(c1)[nH]c1c(=O)[nH]ncc12
InChIInChI=1S/C11H9N3O2/c1-16-6-2-3-7-8-5-12-14-11(15)10(8)13-9(7)4-6/h2-5,13H,1H3,(H,14,15)
InChIKeyFZXGORBQPXWVPI-UHFFFAOYSA-N
XLogP1.41
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12706603
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7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
2,3,9-trimethoxy-11H-indolo[3,2-c]quinoline
CID 138726902
8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one
CID 137303794
7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one
CID 68723516
4-hydroxy-3,7-dimethoxy-1H-quinolin-2-one
CID 139718554
methyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate
CID 141175145
1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine
CID 115044226
iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 25113429
ethane;6-methoxy-1H-indazole
CID 144719676
5,7-dimethoxy-2H-phthalazin-1-one
CID 21138693

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one?
The IUPAC name of 7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one (CID 135764700) is 7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one?
The canonical SMILES for 7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one is COc1ccc2c(c1)[nH]c1c(=O)[nH]ncc12.
What is the InChIKey of 7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one?
The InChIKey is FZXGORBQPXWVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-16-6-2-3-7-8-5-12-14-11(15)10(8)13-9(7)4-6/h2-5,13H,1H3,(H,14,15).
What are the key properties of 7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one?
7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one has a molecular weight of 215.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 135764700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).