2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one

C22H29N3O2 — CID 126935754

IUPAC2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCOc1ccccc1CNC1CCC(n2nc3c(cc2=O)CCCC3)CC1
InChIInChI=1S/C22H29N3O2/c1-27-21-9-5-3-7-17(21)15-23-18-10-12-19(13-11-18)25-22(26)14-16-6-2-4-8-20(16)24-25/h3,5,7,9,14,18-19,23H,2,4,6,8,10-13,15H2,1H3
InChIKeyIOQUHZXLNYKCAL-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.40
Rot. Bonds5

About 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126935754) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126935754
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCOc1ccccc1CNC1CCC(n2nc3c(cc2=O)CCCC3)CC1
InChIInChI=1S/C22H29N3O2/c1-27-21-9-5-3-7-17(21)15-23-18-10-12-19(13-11-18)25-22(26)14-16-6-2-4-8-20(16)24-25/h3,5,7,9,14,18-19,23H,2,4,6,8,10-13,15H2,1H3
InChIKeyIOQUHZXLNYKCAL-UHFFFAOYSA-N
XLogP3.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936695
2-[4-(cyclopropylmethylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935392
2-[4-[(5-methylfuran-2-yl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935433
2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935801
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
N-[(2-methoxyphenyl)methyl]-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 50800496
2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935839
2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937300
2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935391
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
1-methyl-2-oxo-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]pyridine-3-carboxamide
CID 126935258
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126935754) is 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one is COc1ccccc1CNC1CCC(n2nc3c(cc2=O)CCCC3)CC1.
What is the InChIKey of 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is IOQUHZXLNYKCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-27-21-9-5-3-7-17(21)15-23-18-10-12-19(13-11-18)25-22(26)14-16-6-2-4-8-20(16)24-25/h3,5,7,9,14,18-19,23H,2,4,6,8,10-13,15H2,1H3.
What are the key properties of 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 367.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126935754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).