3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one

C24H20ClN3O2 — CID 142644221

IUPAC3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one
SMILESCCOCc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2Cl)n1
InChIInChI=1S/C24H20ClN3O2/c1-2-30-16-18-9-7-8-17(26-18)14-15-23-27-21-12-5-3-10-19(21)24(29)28(23)22-13-6-4-11-20(22)25/h3-15H,2,16H2,1H3/b15-14+
InChIKeyKVNSBUQIDJUEKN-CCEZHUSRSA-N
MW417.90 g/mol
LogP5.14
Rot. Bonds6

About 3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one

3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one (PubChem CID 142644221) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one
PubChem CID142644221
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one
SMILESCCOCc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2Cl)n1
InChIInChI=1S/C24H20ClN3O2/c1-2-30-16-18-9-7-8-17(26-18)14-15-23-27-21-12-5-3-10-19(21)24(29)28(23)22-13-6-4-11-20(22)25/h3-15H,2,16H2,1H3/b15-14+
InChIKeyKVNSBUQIDJUEKN-CCEZHUSRSA-N
XLogP5.14
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one with MolForge

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Related Compounds

3-(2-bromophenyl)-2-[2-[6-(diethylaminomethyl)-2-pyridinyl]ethenyl]quinazolin-4-one
CID 54080594
3-(2-chlorophenyl)-2-[2-[6-(diethylaminomethyl)-2-pyridinyl]ethenyl]-6-fluoroquinazolin-4-one;methanesulfonic acid
CID 85056745
3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 2902132
N-[[6-[(E)-2-[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]-2-pyridinyl]methyl]-N-methylacetamide
CID 18363000
3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one
CID 3843780
3-(2-chlorophenyl)-6-fluoro-2-[(E)-2-[6-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]ethenyl]quinazolin-4-one
CID 18362990
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7334797
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 7334822
3-(2-chlorophenyl)-2-[(E)-2-[6-(difluoromethyl)-2-pyridinyl]ethenyl]-6-fluoroquinazolin-4-one
CID 18362994
3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 5168342
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]acetaldehyde
CID 22990475
3-(2-chlorophenyl)-2-[(E)-2-(4,6-dimethylpyrimidin-2-yl)ethenyl]-6-fluoroquinazolin-4-one
CID 18363007

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one?
The IUPAC name of 3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one (CID 142644221) is 3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one is CCOCc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2Cl)n1.
What is the InChIKey of 3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one?
The InChIKey is KVNSBUQIDJUEKN-CCEZHUSRSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c1-2-30-16-18-9-7-8-17(26-18)14-15-23-27-21-12-5-3-10-19(21)24(29)28(23)22-13-6-4-11-20(22)25/h3-15H,2,16H2,1H3/b15-14+.
What are the key properties of 3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one?
3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one has a molecular weight of 417.90 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one is sourced from PubChem (CID 142644221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).