7-methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole

C22H24N2O4 — CID 141477188

IUPAC7-methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole
SMILESCOc1ccc2c(c1)CCc1nn(C)c(-c3cc(OC)c(OC)c(OC)c3)c1-2
InChIInChI=1S/C22H24N2O4/c1-24-21(14-11-18(26-3)22(28-5)19(12-14)27-4)20-16-8-7-15(25-2)10-13(16)6-9-17(20)23-24/h7-8,10-12H,6,9H2,1-5H3
InChIKeyMTLFTLFJNQPFBX-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.89
Rot. Bonds5

About 7-methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole

7-methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole (PubChem CID 141477188) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 7-methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole.

Molecular Properties

Compound Name7-methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole
PubChem CID141477188
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name7-methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole
SMILESCOc1ccc2c(c1)CCc1nn(C)c(-c3cc(OC)c(OC)c(OC)c3)c1-2
InChIInChI=1S/C22H24N2O4/c1-24-21(14-11-18(26-3)22(28-5)19(12-14)27-4)20-16-8-7-15(25-2)10-13(16)6-9-17(20)23-24/h7-8,10-12H,6,9H2,1-5H3
InChIKeyMTLFTLFJNQPFBX-UHFFFAOYSA-N
XLogP3.89
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole?
The IUPAC name of 7-methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole (CID 141477188) is 7-methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole.
What is the SMILES notation for 7-methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole?
The canonical SMILES for 7-methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole is COc1ccc2c(c1)CCc1nn(C)c(-c3cc(OC)c(OC)c(OC)c3)c1-2.
What is the InChIKey of 7-methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole?
The InChIKey is MTLFTLFJNQPFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-24-21(14-11-18(26-3)22(28-5)19(12-14)27-4)20-16-8-7-15(25-2)10-13(16)6-9-17(20)23-24/h7-8,10-12H,6,9H2,1-5H3.
What are the key properties of 7-methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole?
7-methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole has a molecular weight of 380.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole is sourced from PubChem (CID 141477188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).