8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline

C19H15ClN2O4 — CID 139921662

IUPAC8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline
SMILESCOc1ccc(/C=C/c2nc(Cl)c3cc4c(cc3n2)OCO4)c(OC)c1
InChIInChI=1S/C19H15ClN2O4/c1-23-12-5-3-11(15(7-12)24-2)4-6-18-21-14-9-17-16(25-10-26-17)8-13(14)19(20)22-18/h3-9H,10H2,1-2H3/b6-4+
InChIKeyBMWVOYWDTZXJLC-GQCTYLIASA-N
MW370.79 g/mol
LogP4.20
Rot. Bonds4

About 8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline

8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline (PubChem CID 139921662) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is 8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline.

Molecular Properties

Compound Name8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline
PubChem CID139921662
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Name8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline
SMILESCOc1ccc(/C=C/c2nc(Cl)c3cc4c(cc3n2)OCO4)c(OC)c1
InChIInChI=1S/C19H15ClN2O4/c1-23-12-5-3-11(15(7-12)24-2)4-6-18-21-14-9-17-16(25-10-26-17)8-13(14)19(20)22-18/h3-9H,10H2,1-2H3/b6-4+
InChIKeyBMWVOYWDTZXJLC-GQCTYLIASA-N
XLogP4.20
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline with MolForge

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Related Compounds

2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-chloro-7-methoxyquinazoline
CID 139921647
1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
N-(1,3-benzodioxol-5-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-amine
CID 155538413
4-chloro-6,7-dimethoxy-2-[(E)-2-phenylethenyl]quinazoline
CID 139921672
6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline
CID 849845
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 18763674
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol
CID 56681826
1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 72723773
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083405
1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene
CID 59502056
5-ethenyl-6-methoxy-1,3-benzodioxole
CID 102182518

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline?
The IUPAC name of 8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline (CID 139921662) is 8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline.
What is the SMILES notation for 8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline?
The canonical SMILES for 8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline is COc1ccc(/C=C/c2nc(Cl)c3cc4c(cc3n2)OCO4)c(OC)c1.
What is the InChIKey of 8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline?
The InChIKey is BMWVOYWDTZXJLC-GQCTYLIASA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-23-12-5-3-11(15(7-12)24-2)4-6-18-21-14-9-17-16(25-10-26-17)8-13(14)19(20)22-18/h3-9H,10H2,1-2H3/b6-4+.
What are the key properties of 8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline?
8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline has a molecular weight of 370.79 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline is sourced from PubChem (CID 139921662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).