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

C23H15N3O — CID 146595441

IUPAC(6E)-6-(1,2-dihydroindol-3-ylidene)indolo[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2/c(=C3/CNc4ccccc43)c3ccccc3n12
InChIInChI=1S/C23H15N3O/c27-23-15-8-2-5-11-19(15)25-22-21(16-9-3-6-12-20(16)26(22)23)17-13-24-18-10-4-1-7-14(17)18/h1-12,24H,13H2/b21-17-
InChIKeyJJBYDDDLBYEZAR-FXBPSFAMSA-N
MW349.39 g/mol
LogP3.34
Rot. Bonds

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

(6E)-6-(1,2-dihydroindol-3-ylidene)indolo[2,1-b]quinazolin-12-one (PubChem CID 146595441) has the molecular formula C23H15N3O and a molecular weight of 349.39 g/mol. Its IUPAC name is (6E)-6-(1,2-dihydroindol-3-ylidene)indolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name(6E)-6-(1,2-dihydroindol-3-ylidene)indolo[2,1-b]quinazolin-12-one
PubChem CID146595441
Molecular FormulaC23H15N3O
Molecular Weight349.39 g/mol
Exact Mass349.12
IUPAC Name(6E)-6-(1,2-dihydroindol-3-ylidene)indolo[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2/c(=C3/CNc4ccccc43)c3ccccc3n12
InChIInChI=1S/C23H15N3O/c27-23-15-8-2-5-11-19(15)25-22-21(16-9-3-6-12-20(16)26(22)23)17-13-24-18-10-4-1-7-14(17)18/h1-12,24H,13H2/b21-17-
InChIKeyJJBYDDDLBYEZAR-FXBPSFAMSA-N
XLogP3.34
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-(1,2-dihydroindol-3-ylidene)indolo[2,1-b]quinazolin-12-one?
The IUPAC name of (6E)-6-(1,2-dihydroindol-3-ylidene)indolo[2,1-b]quinazolin-12-one (CID 146595441) is (6E)-6-(1,2-dihydroindol-3-ylidene)indolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for (6E)-6-(1,2-dihydroindol-3-ylidene)indolo[2,1-b]quinazolin-12-one?
The canonical SMILES for (6E)-6-(1,2-dihydroindol-3-ylidene)indolo[2,1-b]quinazolin-12-one is O=c1c2ccccc2nc2/c(=C3/CNc4ccccc43)c3ccccc3n12.
What is the InChIKey of (6E)-6-(1,2-dihydroindol-3-ylidene)indolo[2,1-b]quinazolin-12-one?
The InChIKey is JJBYDDDLBYEZAR-FXBPSFAMSA-N. The full InChI is InChI=1S/C23H15N3O/c27-23-15-8-2-5-11-19(15)25-22-21(16-9-3-6-12-20(16)26(22)23)17-13-24-18-10-4-1-7-14(17)18/h1-12,24H,13H2/b21-17-.
What are the key properties of (6E)-6-(1,2-dihydroindol-3-ylidene)indolo[2,1-b]quinazolin-12-one?
(6E)-6-(1,2-dihydroindol-3-ylidene)indolo[2,1-b]quinazolin-12-one has a molecular weight of 349.39 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(1,2-dihydroindol-3-ylidene)indolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 146595441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).