3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one

C18H24N4O2 — CID 4906216

IUPAC3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one
SMILESCOc1ccc2c(c1)c1c(C)nn(CCCN(C)C)c(=O)c1n2C
InChIInChI=1S/C18H24N4O2/c1-12-16-14-11-13(24-5)7-8-15(14)21(4)17(16)18(23)22(19-12)10-6-9-20(2)3/h7-8,11H,6,9-10H2,1-5H3
InChIKeyHDZMWIPCIAOSHS-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.16
Rot. Bonds5

About 3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one

3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one (PubChem CID 4906216) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one
PubChem CID4906216
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one
SMILESCOc1ccc2c(c1)c1c(C)nn(CCCN(C)C)c(=O)c1n2C
InChIInChI=1S/C18H24N4O2/c1-12-16-14-11-13(24-5)7-8-15(14)21(4)17(16)18(23)22(19-12)10-6-9-20(2)3/h7-8,11H,6,9-10H2,1-5H3
InChIKeyHDZMWIPCIAOSHS-UHFFFAOYSA-N
XLogP2.16
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one?
The IUPAC name of 3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one (CID 4906216) is 3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one is COc1ccc2c(c1)c1c(C)nn(CCCN(C)C)c(=O)c1n2C.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one?
The InChIKey is HDZMWIPCIAOSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-16-14-11-13(24-5)7-8-15(14)21(4)17(16)18(23)22(19-12)10-6-9-20(2)3/h7-8,11H,6,9-10H2,1-5H3.
What are the key properties of 3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one?
3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one has a molecular weight of 328.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 4906216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).