4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one

C19H20N2O2 — CID 160550630

IUPAC4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one
SMILESCOc1ccccc1C1C2=C(CCCC2=O)Cc2n[nH]c(C)c21
InChIInChI=1S/C19H20N2O2/c1-11-17-14(21-20-11)10-12-6-5-8-15(22)18(12)19(17)13-7-3-4-9-16(13)23-2/h3-4,7,9,19H,5-6,8,10H2,1-2H3,(H,20,21)
InChIKeyQYADRNBBNXTEBT-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.46
Rot. Bonds2

About 4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one

4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one (PubChem CID 160550630) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one
PubChem CID160550630
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one
SMILESCOc1ccccc1C1C2=C(CCCC2=O)Cc2n[nH]c(C)c21
InChIInChI=1S/C19H20N2O2/c1-11-17-14(21-20-11)10-12-6-5-8-15(22)18(12)19(17)13-7-3-4-9-16(13)23-2/h3-4,7,9,19H,5-6,8,10H2,1-2H3,(H,20,21)
InChIKeyQYADRNBBNXTEBT-UHFFFAOYSA-N
XLogP3.46
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one with MolForge

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Related Compounds

6-(2-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
CID 66489178
4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 10754643
3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
CID 157464507
3-methyl-4-phenylspiro[4,6,8,9-tetrahydro-2H-benzo[f]indazole-7,1'-cyclopropane]-5-one
CID 153258879
(5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 29109908
ethyl (4S)-2-ethyl-4-(2-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1099650
(4R)-4-(2-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022641
2-[9-(2-methoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid
CID 1149992
4-(4-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
CID 148630063
(5R)-2-benzylsulfanyl-5-(2-methoxyphenyl)-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 136800504
12-(2,5-dimethoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
CID 6488260
5-(2-methoxyphenyl)-2-prop-2-enylsulfanyl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135399403

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one?
The IUPAC name of 4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one (CID 160550630) is 4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one?
The canonical SMILES for 4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one is COc1ccccc1C1C2=C(CCCC2=O)Cc2n[nH]c(C)c21.
What is the InChIKey of 4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one?
The InChIKey is QYADRNBBNXTEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-11-17-14(21-20-11)10-12-6-5-8-15(22)18(12)19(17)13-7-3-4-9-16(13)23-2/h3-4,7,9,19H,5-6,8,10H2,1-2H3,(H,20,21).
What are the key properties of 4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one?
4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one has a molecular weight of 308.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-3-methyl-2,4,6,7,8,9-hexahydrobenzo[f]indazol-5-one is sourced from PubChem (CID 160550630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).