2-[2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-3H-quinazolin-4-one

C108H85N21O6 — CID 162177931

IUPAC2-[2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-3H-quinazolin-4-one
SMILESCn1c(/C=C/c2nc3ccccc3c(=O)[nH]2)nc2ccccc21.Cn1c(C=Cc2nc3ccccc3c(=O)[nH]2)nc2ccccc21.Cn1c(CCc2nc3ccccc3c(=O)[nH]2)nc2ccccc21.O=c1[nH]c(/C=C/C2=Nc3ccccc3C2)nc2ccccc12.O=c1[nH]c(C=CC2=Nc3ccccc3C2)nc2ccccc12.O=c1[nH]c(CCC2=Nc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C18H16N4O.2C18H14N4O.C18H15N3O.2C18H13N3O/c3*1-22-15-9-5-4-8-14(15)20-17(22)11-10-16-19-13-7-3-2-6-12(13)18(23)21-16;3*22-18-14-6-2-4-8-16(14)20-17(21-18)10-9-13-11-12-5-1-3-7-15(12)19-13/h2-9H,10-11H2,1H3,(H,19,21,23);2*2-11H,1H3,(H,19,21,23);1-8H,9-11H2,(H,20,21,22);2*1-10H,11H2,(H,20,21,22)/b;11-10+;;;10-9+;
InChIKeyZOQDUIYCXKPDHD-ZLKVONIXSA-N
MW1773.01 g/mol
LogP18.27
Rot. Bonds14

About 2-[2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-3H-quinazolin-4-one

2-[2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-3H-quinazolin-4-one (PubChem CID 162177931) has the molecular formula C108H85N21O6 and a molecular weight of 1773.01 g/mol. Its IUPAC name is 2-[2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-3H-quinazolin-4-one
PubChem CID162177931
Molecular FormulaC108H85N21O6
Molecular Weight1773.01 g/mol
Exact Mass1771.70
IUPAC Name2-[2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-3H-quinazolin-4-one
SMILESCn1c(/C=C/c2nc3ccccc3c(=O)[nH]2)nc2ccccc21.Cn1c(C=Cc2nc3ccccc3c(=O)[nH]2)nc2ccccc21.Cn1c(CCc2nc3ccccc3c(=O)[nH]2)nc2ccccc21.O=c1[nH]c(/C=C/C2=Nc3ccccc3C2)nc2ccccc12.O=c1[nH]c(C=CC2=Nc3ccccc3C2)nc2ccccc12.O=c1[nH]c(CCC2=Nc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C18H16N4O.2C18H14N4O.C18H15N3O.2C18H13N3O/c3*1-22-15-9-5-4-8-14(15)20-17(22)11-10-16-19-13-7-3-2-6-12(13)18(23)21-16;3*22-18-14-6-2-4-8-16(14)20-17(21-18)10-9-13-11-12-5-1-3-7-15(12)19-13/h2-9H,10-11H2,1H3,(H,19,21,23);2*2-11H,1H3,(H,19,21,23);1-8H,9-11H2,(H,20,21,22);2*1-10H,11H2,(H,20,21,22)/b;11-10+;;;10-9+;
InChIKeyZOQDUIYCXKPDHD-ZLKVONIXSA-N
XLogP18.27
TPSA365.04 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001773.01
LogP ≤ 518.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 2-[2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-3H-quinazolin-4-one (CID 162177931) is 2-[2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-3H-quinazolin-4-one is Cn1c(/C=C/c2nc3ccccc3c(=O)[nH]2)nc2ccccc21.Cn1c(C=Cc2nc3ccccc3c(=O)[nH]2)nc2ccccc21.Cn1c(CCc2nc3ccccc3c(=O)[nH]2)nc2ccccc21.O=c1[nH]c(/C=C/C2=Nc3ccccc3C2)nc2ccccc12.O=c1[nH]c(C=CC2=Nc3ccccc3C2)nc2ccccc12.O=c1[nH]c(CCC2=Nc3ccccc3C2)nc2ccccc12.
What is the InChIKey of 2-[2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-3H-quinazolin-4-one?
The InChIKey is ZOQDUIYCXKPDHD-ZLKVONIXSA-N. The full InChI is InChI=1S/C18H16N4O.2C18H14N4O.C18H15N3O.2C18H13N3O/c3*1-22-15-9-5-4-8-14(15)20-17(22)11-10-16-19-13-7-3-2-6-12(13)18(23)21-16;3*22-18-14-6-2-4-8-16(14)20-17(21-18)10-9-13-11-12-5-1-3-7-15(12)19-13/h2-9H,10-11H2,1H3,(H,19,21,23);2*2-11H,1H3,(H,19,21,23);1-8H,9-11H2,(H,20,21,22);2*1-10H,11H2,(H,20,21,22)/b;11-10+;;;10-9+;.
What are the key properties of 2-[2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-3H-quinazolin-4-one?
2-[2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-3H-quinazolin-4-one has a molecular weight of 1773.01 g/mol, XLogP of 18.27, 14 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(3H-indol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 162177931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).