(6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one

C23H13N3O2 — CID 3035728

IUPAC(6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one
SMILESO=C1/C(=c2/c3ccccc3n3c(=O)c4ccccc4nc23)Nc2ccccc21
InChIInChI=1S/C23H13N3O2/c27-21-13-7-1-4-10-16(13)24-20(21)19-15-9-3-6-12-18(15)26-22(19)25-17-11-5-2-8-14(17)23(26)28/h1-12,24H/b20-19+
InChIKeyDXENDDMPDZMHSQ-FMQUCBEESA-N
MW363.38 g/mol
LogP3.14
Rot. Bonds

About (6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one

(6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one (PubChem CID 3035728) has the molecular formula C23H13N3O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is (6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name(6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one
PubChem CID3035728
Molecular FormulaC23H13N3O2
Molecular Weight363.38 g/mol
Exact Mass363.10
IUPAC Name(6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one
SMILESO=C1/C(=c2/c3ccccc3n3c(=O)c4ccccc4nc23)Nc2ccccc21
InChIInChI=1S/C23H13N3O2/c27-21-13-7-1-4-10-16(13)24-20(21)19-15-9-3-6-12-18(15)26-22(19)25-17-11-5-2-8-14(17)23(26)28/h1-12,24H/b20-19+
InChIKeyDXENDDMPDZMHSQ-FMQUCBEESA-N
XLogP3.14
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tryptanthrin
CID 73549
2,3-Diphenyl-4(3H)-quinazolinone
CID 248040
8-Fluoroindolo[2,1-b]quinazoline-6,12-dione
CID 478574
8-Methylindolo[2,1-b]quinazoline-6,12-dione
CID 478577
2-[(2-Oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one
CID 4519951
2-[(Z)-(2-oxo-1-propan-2-ylindol-3-ylidene)methyl]-3-phenylquinazolin-4-one
CID 5786987
3-Ethyl-2-(2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-3H-quinazolin-4-one
CID 135424992
2-[(Z)-(2-oxo-1-propan-2-ylindol-3-ylidene)methyl]-1H-quinazolin-4-one
CID 135517023
8-Iodoindolo[2,1-b]quinazoline-6,12-dione
CID 478578
2,8-Difluoroindolo[2,1-b]quinazoline-6,12-dione
CID 478643
2-Fluoroindolo[2,1-b]quinazoline-6,12-dione
CID 478645
8-Aminoindolo[2,1-b]quinazoline-6,12-dione
CID 44313580

Frequently Asked Questions

What is the IUPAC name of (6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one?
The IUPAC name of (6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one (CID 3035728) is (6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for (6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one?
The canonical SMILES for (6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one is O=C1/C(=c2/c3ccccc3n3c(=O)c4ccccc4nc23)Nc2ccccc21.
What is the InChIKey of (6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one?
The InChIKey is DXENDDMPDZMHSQ-FMQUCBEESA-N. The full InChI is InChI=1S/C23H13N3O2/c27-21-13-7-1-4-10-16(13)24-20(21)19-15-9-3-6-12-18(15)26-22(19)25-17-11-5-2-8-14(17)23(26)28/h1-12,24H/b20-19+.
What are the key properties of (6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one?
(6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one has a molecular weight of 363.38 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 3035728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).