3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione

C19H17ClN2O4 — CID 17197956

IUPAC3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione
SMILESC=CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2cc(OC)c(OC)cc21
InChIInChI=1S/C19H17ClN2O4/c1-4-9-21-15-11-17(26-3)16(25-2)10-14(15)18(23)22(19(21)24)13-7-5-12(20)6-8-13/h4-8,10-11H,1,9H2,2-3H3
InChIKeyOOWYFADDZSUFOS-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.01
Rot. Bonds5

About 3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione

3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione (PubChem CID 17197956) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione
PubChem CID17197956
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione
SMILESC=CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2cc(OC)c(OC)cc21
InChIInChI=1S/C19H17ClN2O4/c1-4-9-21-15-11-17(26-3)16(25-2)10-14(15)18(23)22(19(21)24)13-7-5-12(20)6-8-13/h4-8,10-11H,1,9H2,2-3H3
InChIKeyOOWYFADDZSUFOS-UHFFFAOYSA-N
XLogP3.01
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione (CID 17197956) is 3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione is C=CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2cc(OC)c(OC)cc21.
What is the InChIKey of 3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione?
The InChIKey is OOWYFADDZSUFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-4-9-21-15-11-17(26-3)16(25-2)10-14(15)18(23)22(19(21)24)13-7-5-12(20)6-8-13/h4-8,10-11H,1,9H2,2-3H3.
What are the key properties of 3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione?
3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione has a molecular weight of 372.81 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione is sourced from PubChem (CID 17197956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).