2-bromo-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]quinazoline

C20H15BrN2O — CID 137427279

IUPAC2-bromo-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]quinazoline
SMILESC/C=C\c1c(C)oc2ccc(-c3nc(Br)nc4ccccc34)cc12
InChIInChI=1S/C20H15BrN2O/c1-3-6-14-12(2)24-18-10-9-13(11-16(14)18)19-15-7-4-5-8-17(15)22-20(21)23-19/h3-11H,1-2H3/b6-3-
InChIKeyMZHHLWMBLXPOKI-UTCJRWHESA-N
MW379.26 g/mol
LogP6.15
Rot. Bonds2

About 2-bromo-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]quinazoline

2-bromo-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]quinazoline (PubChem CID 137427279) has the molecular formula C20H15BrN2O and a molecular weight of 379.26 g/mol. Its IUPAC name is 2-bromo-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]quinazoline.

Molecular Properties

Compound Name2-bromo-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]quinazoline
PubChem CID137427279
Molecular FormulaC20H15BrN2O
Molecular Weight379.26 g/mol
Exact Mass378.04
IUPAC Name2-bromo-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]quinazoline
SMILESC/C=C\c1c(C)oc2ccc(-c3nc(Br)nc4ccccc34)cc12
InChIInChI=1S/C20H15BrN2O/c1-3-6-14-12(2)24-18-10-9-13(11-16(14)18)19-15-7-4-5-8-17(15)22-20(21)23-19/h3-11H,1-2H3/b6-3-
InChIKeyMZHHLWMBLXPOKI-UTCJRWHESA-N
XLogP6.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.26
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]quinazoline?
The IUPAC name of 2-bromo-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]quinazoline (CID 137427279) is 2-bromo-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]quinazoline.
What is the SMILES notation for 2-bromo-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]quinazoline?
The canonical SMILES for 2-bromo-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]quinazoline is C/C=C\c1c(C)oc2ccc(-c3nc(Br)nc4ccccc34)cc12.
What is the InChIKey of 2-bromo-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]quinazoline?
The InChIKey is MZHHLWMBLXPOKI-UTCJRWHESA-N. The full InChI is InChI=1S/C20H15BrN2O/c1-3-6-14-12(2)24-18-10-9-13(11-16(14)18)19-15-7-4-5-8-17(15)22-20(21)23-19/h3-11H,1-2H3/b6-3-.
What are the key properties of 2-bromo-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]quinazoline?
2-bromo-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]quinazoline has a molecular weight of 379.26 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]quinazoline is sourced from PubChem (CID 137427279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).