2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one

C22H21N3O — CID 92912504

IUPAC2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
SMILESCCn1c(/C=C\c2c(C)n(C)c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C22H21N3O/c1-4-25-21(23-19-11-7-5-10-18(19)22(25)26)14-13-16-15(2)24(3)20-12-8-6-9-17(16)20/h5-14H,4H2,1-3H3/b14-13-
InChIKeyYAQDUTBXTZQHJG-YPKPFQOOSA-N
MW343.43 g/mol
LogP4.39
Rot. Bonds3

About 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one

2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one (PubChem CID 92912504) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one.

Molecular Properties

Compound Name2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
PubChem CID92912504
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
SMILESCCn1c(/C=C\c2c(C)n(C)c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C22H21N3O/c1-4-25-21(23-19-11-7-5-10-18(19)22(25)26)14-13-16-15(2)24(3)20-12-8-6-9-17(16)20/h5-14H,4H2,1-3H3/b14-13-
InChIKeyYAQDUTBXTZQHJG-YPKPFQOOSA-N
XLogP4.39
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-2-[2-(1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one
CID 3849018
2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 92912509
3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
CID 3125241
3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 7334704
2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one
CID 2880240
3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one
CID 2966521
2-[(E)-2-(1-benzyl-2-methylindol-3-yl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 23606618
2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
CID 2870092
3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one
CID 5377736
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one
CID 135544846
2-(2-phenylethenyl)-3-(2-phenylethyl)quinazolin-4-one
CID 2940266
2-[2-(1-benzyl-2-methylindol-3-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 4274684

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one?
The IUPAC name of 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one (CID 92912504) is 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one.
What is the SMILES notation for 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one?
The canonical SMILES for 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one is CCn1c(/C=C\c2c(C)n(C)c3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one?
The InChIKey is YAQDUTBXTZQHJG-YPKPFQOOSA-N. The full InChI is InChI=1S/C22H21N3O/c1-4-25-21(23-19-11-7-5-10-18(19)22(25)26)14-13-16-15(2)24(3)20-12-8-6-9-17(16)20/h5-14H,4H2,1-3H3/b14-13-.
What are the key properties of 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one?
2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one has a molecular weight of 343.43 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one is sourced from PubChem (CID 92912504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).