ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate

C12H11ClN2O3 — CID 87073372

IUPACethyl 4-chloro-8-methoxyquinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(Cl)c2cccc(OC)c2n1
InChIInChI=1S/C12H11ClN2O3/c1-3-18-12(16)11-14-9-7(10(13)15-11)5-4-6-8(9)17-2/h4-6H,3H2,1-2H3
InChIKeyVPYMKIZCSJNBNL-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.47
Rot. Bonds3

About ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate

ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate (PubChem CID 87073372) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-8-methoxyquinazoline-2-carboxylate
PubChem CID87073372
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Nameethyl 4-chloro-8-methoxyquinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(Cl)c2cccc(OC)c2n1
InChIInChI=1S/C12H11ClN2O3/c1-3-18-12(16)11-14-9-7(10(13)15-11)5-4-6-8(9)17-2/h4-6H,3H2,1-2H3
InChIKeyVPYMKIZCSJNBNL-UHFFFAOYSA-N
XLogP2.47
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 35208600
4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline
CID 34176280
1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
CID 105470785
ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate
CID 86624427
ethyl 5-methoxyisoquinoline-3-carboxylate
CID 131699571
2-chloro-8-methoxy-4-methylquinazoline
CID 59199295
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
4-ethyl-8-methoxyquinazolin-2-amine
CID 105455342
ethyl 4-(4-chloro-2-methoxy-5-methylanilino)quinazoline-2-carboxylate
CID 20965956
ethyl 3,8-dimethoxynaphthalene-2-carboxylate
CID 170872170
8-ethoxy-2-methylquinoline-4-carboxamide
CID 82574053
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate?
The IUPAC name of ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate (CID 87073372) is ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate is CCOC(=O)c1nc(Cl)c2cccc(OC)c2n1.
What is the InChIKey of ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate?
The InChIKey is VPYMKIZCSJNBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-3-18-12(16)11-14-9-7(10(13)15-11)5-4-6-8(9)17-2/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate?
ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate has a molecular weight of 266.68 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate is sourced from PubChem (CID 87073372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).