propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate

C13H12Cl2N2O3 — CID 7628751

IUPACpropan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
SMILESCC(C)OC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C13H12Cl2N2O3/c1-7(2)20-11(18)5-17-6-16-12-9(13(17)19)3-8(14)4-10(12)15/h3-4,6-7H,5H2,1-2H3
InChIKeyITBQPHAOLPMVQV-UHFFFAOYSA-N
MW315.16 g/mol
LogP2.65
Rot. Bonds3

About propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate

propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate (PubChem CID 7628751) has the molecular formula C13H12Cl2N2O3 and a molecular weight of 315.16 g/mol. Its IUPAC name is propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
PubChem CID7628751
Molecular FormulaC13H12Cl2N2O3
Molecular Weight315.16 g/mol
Exact Mass314.02
IUPAC Namepropan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
SMILESCC(C)OC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C13H12Cl2N2O3/c1-7(2)20-11(18)5-17-6-16-12-9(13(17)19)3-8(14)4-10(12)15/h3-4,6-7H,5H2,1-2H3
InChIKeyITBQPHAOLPMVQV-UHFFFAOYSA-N
XLogP2.65
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate?
The IUPAC name of propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate (CID 7628751) is propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate is CC(C)OC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O.
What is the InChIKey of propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate?
The InChIKey is ITBQPHAOLPMVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3/c1-7(2)20-11(18)5-17-6-16-12-9(13(17)19)3-8(14)4-10(12)15/h3-4,6-7H,5H2,1-2H3.
What are the key properties of propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate?
propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate has a molecular weight of 315.16 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 7628751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).