ethyl 4-chloroquinazoline-7-carboxylate

C11H9ClN2O2 — CID 71743581

IUPACethyl 4-chloroquinazoline-7-carboxylate
SMILESCCOC(=O)c1ccc2c(Cl)ncnc2c1
InChIInChI=1S/C11H9ClN2O2/c1-2-16-11(15)7-3-4-8-9(5-7)13-6-14-10(8)12/h3-6H,2H2,1H3
InChIKeyDKZVIRNHCASCQH-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.46
Rot. Bonds2

About ethyl 4-chloroquinazoline-7-carboxylate

ethyl 4-chloroquinazoline-7-carboxylate (PubChem CID 71743581) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is ethyl 4-chloroquinazoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloroquinazoline-7-carboxylate
PubChem CID71743581
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Nameethyl 4-chloroquinazoline-7-carboxylate
SMILESCCOC(=O)c1ccc2c(Cl)ncnc2c1
InChIInChI=1S/C11H9ClN2O2/c1-2-16-11(15)7-3-4-8-9(5-7)13-6-14-10(8)12/h3-6H,2H2,1H3
InChIKeyDKZVIRNHCASCQH-UHFFFAOYSA-N
XLogP2.46
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-chloroquinazoline-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1,4-dichloroisoquinoline-7-carboxylate
CID 18698389
ethyl 3-chloro-2H-indazole-6-carboxylate
CID 131699852
ethyl 4-ethoxyquinoline-7-carboxylate
CID 91667888
ethyl 2-chloroquinoline-7-carboxylate
CID 72942632
diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate
CID 43839933
ethyl 3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate
CID 23282758
ethyl 4-(6-chloropyrimidin-4-yl)benzoate
CID 24902046
ethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 122129786
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
ethyl 3-benzyl-2,4-dichloroquinoline-6-carboxylate
CID 90101722
ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate
CID 135479169

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloroquinazoline-7-carboxylate?
The IUPAC name of ethyl 4-chloroquinazoline-7-carboxylate (CID 71743581) is ethyl 4-chloroquinazoline-7-carboxylate.
What is the SMILES notation for ethyl 4-chloroquinazoline-7-carboxylate?
The canonical SMILES for ethyl 4-chloroquinazoline-7-carboxylate is CCOC(=O)c1ccc2c(Cl)ncnc2c1.
What is the InChIKey of ethyl 4-chloroquinazoline-7-carboxylate?
The InChIKey is DKZVIRNHCASCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-2-16-11(15)7-3-4-8-9(5-7)13-6-14-10(8)12/h3-6H,2H2,1H3.
What are the key properties of ethyl 4-chloroquinazoline-7-carboxylate?
ethyl 4-chloroquinazoline-7-carboxylate has a molecular weight of 236.66 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloroquinazoline-7-carboxylate is sourced from PubChem (CID 71743581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).