methyl 4,6-dichloroquinazoline-2-carboxylate

C10H6Cl2N2O2 — CID 131622673

IUPACmethyl 4,6-dichloroquinazoline-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c2cc(Cl)ccc2n1
InChIInChI=1S/C10H6Cl2N2O2/c1-16-10(15)9-13-7-3-2-5(11)4-6(7)8(12)14-9/h2-4H,1H3
InChIKeyRPLNRZIFPDUFIV-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.72
Rot. Bonds1

About methyl 4,6-dichloroquinazoline-2-carboxylate

methyl 4,6-dichloroquinazoline-2-carboxylate (PubChem CID 131622673) has the molecular formula C10H6Cl2N2O2 and a molecular weight of 257.08 g/mol. Its IUPAC name is methyl 4,6-dichloroquinazoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-dichloroquinazoline-2-carboxylate
PubChem CID131622673
Molecular FormulaC10H6Cl2N2O2
Molecular Weight257.08 g/mol
Exact Mass255.98
IUPAC Namemethyl 4,6-dichloroquinazoline-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c2cc(Cl)ccc2n1
InChIInChI=1S/C10H6Cl2N2O2/c1-16-10(15)9-13-7-3-2-5(11)4-6(7)8(12)14-9/h2-4H,1H3
InChIKeyRPLNRZIFPDUFIV-UHFFFAOYSA-N
XLogP2.72
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4,6-dichloroquinazoline-2-carboxylate?
The IUPAC name of methyl 4,6-dichloroquinazoline-2-carboxylate (CID 131622673) is methyl 4,6-dichloroquinazoline-2-carboxylate.
What is the SMILES notation for methyl 4,6-dichloroquinazoline-2-carboxylate?
The canonical SMILES for methyl 4,6-dichloroquinazoline-2-carboxylate is COC(=O)c1nc(Cl)c2cc(Cl)ccc2n1.
What is the InChIKey of methyl 4,6-dichloroquinazoline-2-carboxylate?
The InChIKey is RPLNRZIFPDUFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2/c1-16-10(15)9-13-7-3-2-5(11)4-6(7)8(12)14-9/h2-4H,1H3.
What are the key properties of methyl 4,6-dichloroquinazoline-2-carboxylate?
methyl 4,6-dichloroquinazoline-2-carboxylate has a molecular weight of 257.08 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-dichloroquinazoline-2-carboxylate is sourced from PubChem (CID 131622673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).