3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one

C22H17N3O2 — CID 6614301

IUPAC3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one
SMILESCOc1ccccc1-n1c(C=Cc2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C22H17N3O2/c1-27-20-11-5-4-10-19(20)25-21(13-12-16-7-6-14-23-15-16)24-18-9-3-2-8-17(18)22(25)26/h2-15H,1H3
InChIKeyKTEFIXRTKOGOBG-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.96
Rot. Bonds4

About 3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one

3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one (PubChem CID 6614301) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one
PubChem CID6614301
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one
SMILESCOc1ccccc1-n1c(C=Cc2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C22H17N3O2/c1-27-20-11-5-4-10-19(20)25-21(13-12-16-7-6-14-23-15-16)24-18-9-3-2-8-17(18)22(25)26/h2-15H,1H3
InChIKeyKTEFIXRTKOGOBG-UHFFFAOYSA-N
XLogP3.96
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 92912522
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7334797
3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 2880252
3-(2-methoxyphenyl)-2-[(Z)-2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 5345957
3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 92919266
2-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 3749691
3-(5-chloro-2-methoxyphenyl)-2-[(Z)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966914
2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 135584614
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
3-(5-chloro-2-methoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966975
3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 53245528
2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide
CID 101020923

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one?
The IUPAC name of 3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one (CID 6614301) is 3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one is COc1ccccc1-n1c(C=Cc2cccnc2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one?
The InChIKey is KTEFIXRTKOGOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-27-20-11-5-4-10-19(20)25-21(13-12-16-7-6-14-23-15-16)24-18-9-3-2-8-17(18)22(25)26/h2-15H,1H3.
What are the key properties of 3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one?
3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one has a molecular weight of 355.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one is sourced from PubChem (CID 6614301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).