3-(4-methoxyphenyl)-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-4-one

C20H15N3O2S — CID 155925748

IUPAC3-(4-methoxyphenyl)-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-4-one
SMILESCOc1ccc(-n2c(/C=C/c3nccs3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H15N3O2S/c1-25-15-8-6-14(7-9-15)23-18(10-11-19-21-12-13-26-19)22-17-5-3-2-4-16(17)20(23)24/h2-13H,1H3/b11-10+
InChIKeyYYCRTRHZUNMQBP-ZHACJKMWSA-N
MW361.43 g/mol
LogP4.02
Rot. Bonds4

About 3-(4-methoxyphenyl)-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-4-one

3-(4-methoxyphenyl)-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-4-one (PubChem CID 155925748) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-4-one
PubChem CID155925748
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name3-(4-methoxyphenyl)-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-4-one
SMILESCOc1ccc(-n2c(/C=C/c3nccs3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H15N3O2S/c1-25-15-8-6-14(7-9-15)23-18(10-11-19-21-12-13-26-19)22-17-5-3-2-4-16(17)20(23)24/h2-13H,1H3/b11-10+
InChIKeyYYCRTRHZUNMQBP-ZHACJKMWSA-N
XLogP4.02
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-4-one (CID 155925748) is 3-(4-methoxyphenyl)-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-4-one is COc1ccc(-n2c(/C=C/c3nccs3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-4-one?
The InChIKey is YYCRTRHZUNMQBP-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-25-15-8-6-14(7-9-15)23-18(10-11-19-21-12-13-26-19)22-17-5-3-2-4-16(17)20(23)24/h2-13H,1H3/b11-10+.
What are the key properties of 3-(4-methoxyphenyl)-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-4-one?
3-(4-methoxyphenyl)-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-4-one has a molecular weight of 361.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 155925748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).