methyl 4,6-dichloroquinazoline-7-carboxylate

C10H6Cl2N2O2 — CID 87627489

IUPACmethyl 4,6-dichloroquinazoline-7-carboxylate
SMILESCOC(=O)c1cc2ncnc(Cl)c2cc1Cl
InChIInChI=1S/C10H6Cl2N2O2/c1-16-10(15)5-3-8-6(2-7(5)11)9(12)14-4-13-8/h2-4H,1H3
InChIKeyZKQVCETWHMLSCA-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.72
Rot. Bonds1

About methyl 4,6-dichloroquinazoline-7-carboxylate

methyl 4,6-dichloroquinazoline-7-carboxylate (PubChem CID 87627489) has the molecular formula C10H6Cl2N2O2 and a molecular weight of 257.08 g/mol. Its IUPAC name is methyl 4,6-dichloroquinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-dichloroquinazoline-7-carboxylate
PubChem CID87627489
Molecular FormulaC10H6Cl2N2O2
Molecular Weight257.08 g/mol
Exact Mass255.98
IUPAC Namemethyl 4,6-dichloroquinazoline-7-carboxylate
SMILESCOC(=O)c1cc2ncnc(Cl)c2cc1Cl
InChIInChI=1S/C10H6Cl2N2O2/c1-16-10(15)5-3-8-6(2-7(5)11)9(12)14-4-13-8/h2-4H,1H3
InChIKeyZKQVCETWHMLSCA-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

(4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride
CID 22022159
methyl 3,7-dichloroquinoline-6-carboxylate
CID 57210389
(4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
CID 122446171
3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid
CID 163197326
methyl 5-bromo-2,4-dichlorobenzoate
CID 75360955
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol
CID 25258085
ethyl 4-chloroquinazoline-7-carboxylate
CID 71743581
methyl 3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanoate
CID 171864805
methyl 2,4-dichloro-5-fluorosulfonylbenzoate
CID 122236166
methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate
CID 102614920
(6-bromo-4-chloroquinazolin-7-yl)-(2,5-dihydropyrrol-1-yl)methanone
CID 87626349

Frequently Asked Questions

What is the IUPAC name of methyl 4,6-dichloroquinazoline-7-carboxylate?
The IUPAC name of methyl 4,6-dichloroquinazoline-7-carboxylate (CID 87627489) is methyl 4,6-dichloroquinazoline-7-carboxylate.
What is the SMILES notation for methyl 4,6-dichloroquinazoline-7-carboxylate?
The canonical SMILES for methyl 4,6-dichloroquinazoline-7-carboxylate is COC(=O)c1cc2ncnc(Cl)c2cc1Cl.
What is the InChIKey of methyl 4,6-dichloroquinazoline-7-carboxylate?
The InChIKey is ZKQVCETWHMLSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2/c1-16-10(15)5-3-8-6(2-7(5)11)9(12)14-4-13-8/h2-4H,1H3.
What are the key properties of methyl 4,6-dichloroquinazoline-7-carboxylate?
methyl 4,6-dichloroquinazoline-7-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-7-carboxylate is sourced from PubChem (CID 87627489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).