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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Related Compounds

6-Chloro-2-methoxy-4-phenylquinazoline
CID 742338
Ethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate
CID 25179123
6-Chloro-4-(o-chlorophenyl)-2-quinazolinecarboxaldehyde
CID 617488
Ethyl 4-(allylamino)-2-quinazolinecarboxylate
CID 4313811
2,4,6-Trichloroquinazoline
CID 10421510
Ethyl 4-(tert-butylamino)quinazoline-2-carboxylate
CID 5330897
6-Chloro-4-phenylquinazoline-2-carbaldehyde
CID 555754
6-Chloro-4-(o-chlorophenyl)-2-quinazolinecarboxylic acid
CID 12211233
Ethyl 4-chloroquinazoline-2-carboxylate
CID 3477840
Ethyl 4-[butyl(ethyl)amino]quinazoline-2-carboxylate
CID 45106986
Ethyl 4-(morpholin-4-YL)quinazoline-2-carboxylate
CID 314890
4-Chloro-2-methylquinazoline
CID 2785421

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).