2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one

C26H21N3O2 — CID 3767381

IUPAC2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
SMILESCOc1ccc2[nH]cc(C=Cc3nc4ccccc4c(=O)n3-c3ccccc3C)c2c1
InChIInChI=1S/C26H21N3O2/c1-17-7-3-6-10-24(17)29-25(28-23-9-5-4-8-20(23)26(29)30)14-11-18-16-27-22-13-12-19(31-2)15-21(18)22/h3-16,27H,1-2H3
InChIKeyNDOSWDOKKWFVNB-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.35
Rot. Bonds4

About 2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one

2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one (PubChem CID 3767381) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
PubChem CID3767381
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
SMILESCOc1ccc2[nH]cc(C=Cc3nc4ccccc4c(=O)n3-c3ccccc3C)c2c1
InChIInChI=1S/C26H21N3O2/c1-17-7-3-6-10-24(17)29-25(28-23-9-5-4-8-20(23)26(29)30)14-11-18-16-27-22-13-12-19(31-2)15-21(18)22/h3-16,27H,1-2H3
InChIKeyNDOSWDOKKWFVNB-UHFFFAOYSA-N
XLogP5.35
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 135584614
6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 135614680
6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-methylquinazolin-4-one
CID 135613379
3-benzyl-6-iodo-2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]quinazolin-4-one
CID 3568539
2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 92912507
2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 92967429
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 135549536
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 632826
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7334797
2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 92912509
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one
CID 2880240

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one (CID 3767381) is 2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one is COc1ccc2[nH]cc(C=Cc3nc4ccccc4c(=O)n3-c3ccccc3C)c2c1.
What is the InChIKey of 2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The InChIKey is NDOSWDOKKWFVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-17-7-3-6-10-24(17)29-25(28-23-9-5-4-8-20(23)26(29)30)14-11-18-16-27-22-13-12-19(31-2)15-21(18)22/h3-16,27H,1-2H3.
What are the key properties of 2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one has a molecular weight of 407.47 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 3767381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).