2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione

C27H26N2O2 — CID 90956813

IUPAC2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione
SMILESCN1c2ccccc2C=CC1C=c1c(=O)c(=CC2N(C)c3ccccc3C2(C)C)c1=O
InChIInChI=1S/C27H26N2O2/c1-27(2)21-10-6-8-12-23(21)29(4)24(27)16-20-25(30)19(26(20)31)15-18-14-13-17-9-5-7-11-22(17)28(18)3/h5-16,18,24H,1-4H3/b19-15-,20-16+
InChIKeySSKNBLZAFPZMSC-VBGLAJCLSA-N
MW410.52 g/mol
LogP2.17
Rot. Bonds2

About 2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione

2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione (PubChem CID 90956813) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione.

Molecular Properties

Compound Name2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione
PubChem CID90956813
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione
SMILESCN1c2ccccc2C=CC1C=c1c(=O)c(=CC2N(C)c3ccccc3C2(C)C)c1=O
InChIInChI=1S/C27H26N2O2/c1-27(2)21-10-6-8-12-23(21)29(4)24(27)16-20-25(30)19(26(20)31)15-18-14-13-17-9-5-7-11-22(17)28(18)3/h5-16,18,24H,1-4H3/b19-15-,20-16+
InChIKeySSKNBLZAFPZMSC-VBGLAJCLSA-N
XLogP2.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione with MolForge

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Related Compounds

2-[(2,6-ditert-butyl-4H-thiopyran-4-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione
CID 90947980
1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole
CID 163422251
2-[3-oxo-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutylidene]indene-1,3-dione
CID 91219927
2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile
CID 67262655
2-ethenyl-1-ethyl-2H-quinoline
CID 130346368
1-methyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-2H-quinoline
CID 5475868
sulfuric acid;1,2,3,3-tetramethyl-2H-indole
CID 69432557
1,3,3-trimethyl-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole
CID 6365835
1,3,3-trimethyl-2-[(E)-2-(2-methyl-2,3-dihydroindol-1-yl)ethenyl]-2H-indole;hydroiodide
CID 173386636
1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole
CID 3019148
1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole
CID 20735751
4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride
CID 173459830

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione?
The IUPAC name of 2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione (CID 90956813) is 2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione.
What is the SMILES notation for 2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione?
The canonical SMILES for 2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione is CN1c2ccccc2C=CC1C=c1c(=O)c(=CC2N(C)c3ccccc3C2(C)C)c1=O.
What is the InChIKey of 2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione?
The InChIKey is SSKNBLZAFPZMSC-VBGLAJCLSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-27(2)21-10-6-8-12-23(21)29(4)24(27)16-20-25(30)19(26(20)31)15-18-14-13-17-9-5-7-11-22(17)28(18)3/h5-16,18,24H,1-4H3/b19-15-,20-16+.
What are the key properties of 2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione?
2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione has a molecular weight of 410.52 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione is sourced from PubChem (CID 90956813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).