3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione

C17H13ClN2O2 — CID 17337182

IUPAC3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione
SMILESC=CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2ccccc21
InChIInChI=1S/C17H13ClN2O2/c1-2-11-19-15-6-4-3-5-14(15)16(21)20(17(19)22)13-9-7-12(18)8-10-13/h2-10H,1,11H2
InChIKeyNZPVRACHXOQUFE-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.99
Rot. Bonds3

About 3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione

3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione (PubChem CID 17337182) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione
PubChem CID17337182
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione
SMILESC=CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2ccccc21
InChIInChI=1S/C17H13ClN2O2/c1-2-11-19-15-6-4-3-5-14(15)16(21)20(17(19)22)13-9-7-12(18)8-10-13/h2-10H,1,11H2
InChIKeyNZPVRACHXOQUFE-UHFFFAOYSA-N
XLogP2.99
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione
CID 17197956
2-[4-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763349
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione
CID 66502699
2-[3-(4-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17027583
3-(4-chlorophenyl)-7-(1-phenylethyl)-1-prop-2-enylpurine-2,6-dione
CID 83281085
1-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2482977
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-ethylphenyl)quinazoline-2,4-dione
CID 53100932
1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione
CID 17159909
3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione
CID 17147919
2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid
CID 14458947
3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17147921

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione (CID 17337182) is 3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione is C=CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2ccccc21.
What is the InChIKey of 3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione?
The InChIKey is NZPVRACHXOQUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-2-11-19-15-6-4-3-5-14(15)16(21)20(17(19)22)13-9-7-12(18)8-10-13/h2-10H,1,11H2.
What are the key properties of 3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione?
3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione has a molecular weight of 312.76 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione is sourced from PubChem (CID 17337182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).