4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one

C22H26N2O — CID 57035975

IUPAC4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
SMILESCc1cc(C)c2c(c1)NC(=O)C2=Cc1cc2c([nH]1)CCCC2C(C)C
InChIInChI=1S/C22H26N2O/c1-12(2)16-6-5-7-19-17(16)10-15(23-19)11-18-21-14(4)8-13(3)9-20(21)24-22(18)25/h8-12,16,23H,5-7H2,1-4H3,(H,24,25)
InChIKeyOANIODVHHHLZJM-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.20
Rot. Bonds2

About 4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one

4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one (PubChem CID 57035975) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
PubChem CID57035975
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
SMILESCc1cc(C)c2c(c1)NC(=O)C2=Cc1cc2c([nH]1)CCCC2C(C)C
InChIInChI=1S/C22H26N2O/c1-12(2)16-6-5-7-19-17(16)10-15(23-19)11-18-21-14(4)8-13(3)9-20(21)24-22(18)25/h8-12,16,23H,5-7H2,1-4H3,(H,24,25)
InChIKeyOANIODVHHHLZJM-UHFFFAOYSA-N
XLogP5.20
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-7-methyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57247693
5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57277702
4,6-dimethoxy-3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57222245
5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57262943
3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 57269263
3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(2-morpholin-4-ylethyl)-1H-indol-2-one
CID 57315504
(3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indole-4-carboxylic acid
CID 23301510
8-methyl-5-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 10443350
2-[2-[(5-butyl-2-oxo-1H-indol-3-ylidene)methyl]-4,5,6,7-tetrahydro-1H-indol-4-yl]acetic acid
CID 57097106
(3E)-4-dimethoxyphosphoryl-3-[(2-methoxypyrrolidin-1-yl)methylidene]-6-methyl-1H-indol-2-one
CID 23398043
(4Z)-4-[[4-(dimethylamino)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-3-pyrimidin-2-yl-1H-pyrazol-5-one
CID 135723929
6-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 59559014

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one (CID 57035975) is 4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one is Cc1cc(C)c2c(c1)NC(=O)C2=Cc1cc2c([nH]1)CCCC2C(C)C.
What is the InChIKey of 4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is OANIODVHHHLZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-12(2)16-6-5-7-19-17(16)10-15(23-19)11-18-21-14(4)8-13(3)9-20(21)24-22(18)25/h8-12,16,23H,5-7H2,1-4H3,(H,24,25).
What are the key properties of 4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one?
4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 334.46 g/mol, XLogP of 5.20, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 57035975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).