(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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Related Compounds

ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione
CID 156863175
3-bromoquinazolino[3,2-f]phenanthridin-14-one
CID 164913573
5-methylquinolino[2,1-b]quinazolin-12-one
CID 14666352
3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one
CID 164913455
15-amino-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
CID 3512510
10-carbazol-9-yl-12-phenyl-1,9,11,15-tetrazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-2,4,6,8(13),9,11,14,16,18,20-decaen-22-one
CID 164913625
25-phenyl-2,9,17-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,19,21,23-undecaen-18-one
CID 165126176
11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbaldehyde
CID 88895903
13-fluoro-1,3,11,15-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-2,4,6,8,12,14,16,18,20-nonaene-10,22-dione
CID 21204489
5-phenylindazolo[3,2-b]quinazolin-7-one
CID 57338719
ethane;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione
CID 90702606
(3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione
CID 135493945

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).