2,4-dichloro-8-prop-1-en-2-ylquinazoline

C11H8Cl2N2 — CID 89098883

IUPAC2,4-dichloro-8-prop-1-en-2-ylquinazoline
SMILESC=C(C)c1cccc2c(Cl)nc(Cl)nc12
InChIInChI=1S/C11H8Cl2N2/c1-6(2)7-4-3-5-8-9(7)14-11(13)15-10(8)12/h3-5H,1H2,2H3
InChIKeyIVZSPZCNCSJHPX-UHFFFAOYSA-N
MW239.10 g/mol
LogP3.97
Rot. Bonds1

About 2,4-dichloro-8-prop-1-en-2-ylquinazoline

2,4-dichloro-8-prop-1-en-2-ylquinazoline (PubChem CID 89098883) has the molecular formula C11H8Cl2N2 and a molecular weight of 239.10 g/mol. Its IUPAC name is 2,4-dichloro-8-prop-1-en-2-ylquinazoline.

Molecular Properties

Compound Name2,4-dichloro-8-prop-1-en-2-ylquinazoline
PubChem CID89098883
Molecular FormulaC11H8Cl2N2
Molecular Weight239.10 g/mol
Exact Mass238.01
IUPAC Name2,4-dichloro-8-prop-1-en-2-ylquinazoline
SMILESC=C(C)c1cccc2c(Cl)nc(Cl)nc12
InChIInChI=1S/C11H8Cl2N2/c1-6(2)7-4-3-5-8-9(7)14-11(13)15-10(8)12/h3-5H,1H2,2H3
InChIKeyIVZSPZCNCSJHPX-UHFFFAOYSA-N
XLogP3.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-8-prop-1-en-2-ylquinazoline?
The IUPAC name of 2,4-dichloro-8-prop-1-en-2-ylquinazoline (CID 89098883) is 2,4-dichloro-8-prop-1-en-2-ylquinazoline.
What is the SMILES notation for 2,4-dichloro-8-prop-1-en-2-ylquinazoline?
The canonical SMILES for 2,4-dichloro-8-prop-1-en-2-ylquinazoline is C=C(C)c1cccc2c(Cl)nc(Cl)nc12.
What is the InChIKey of 2,4-dichloro-8-prop-1-en-2-ylquinazoline?
The InChIKey is IVZSPZCNCSJHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2/c1-6(2)7-4-3-5-8-9(7)14-11(13)15-10(8)12/h3-5H,1H2,2H3.
What are the key properties of 2,4-dichloro-8-prop-1-en-2-ylquinazoline?
2,4-dichloro-8-prop-1-en-2-ylquinazoline has a molecular weight of 239.10 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-8-prop-1-en-2-ylquinazoline is sourced from PubChem (CID 89098883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).