4-chloro-6,7-bis(2-methoxyethoxy)quinazoline

C14H17ClN2O4 — CID 11289942

IUPAC4-chloro-6,7-bis(2-methoxyethoxy)quinazoline
SMILESCOCCOc1cc2ncnc(Cl)c2cc1OCCOC
InChIInChI=1S/C14H17ClN2O4/c1-18-3-5-20-12-7-10-11(16-9-17-14(10)15)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3
InChIKeyZPJLDMNVDPGZIU-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.33
Rot. Bonds8

About 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline

4-chloro-6,7-bis(2-methoxyethoxy)quinazoline (PubChem CID 11289942) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline.

Molecular Properties

Compound Name4-chloro-6,7-bis(2-methoxyethoxy)quinazoline
PubChem CID11289942
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name4-chloro-6,7-bis(2-methoxyethoxy)quinazoline
SMILESCOCCOc1cc2ncnc(Cl)c2cc1OCCOC
InChIInChI=1S/C14H17ClN2O4/c1-18-3-5-20-12-7-10-11(16-9-17-14(10)15)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3
InChIKeyZPJLDMNVDPGZIU-UHFFFAOYSA-N
XLogP2.33
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline?
The IUPAC name of 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline (CID 11289942) is 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline.
What is the SMILES notation for 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline?
The canonical SMILES for 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline is COCCOc1cc2ncnc(Cl)c2cc1OCCOC.
What is the InChIKey of 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline?
The InChIKey is ZPJLDMNVDPGZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-18-3-5-20-12-7-10-11(16-9-17-14(10)15)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline?
4-chloro-6,7-bis(2-methoxyethoxy)quinazoline has a molecular weight of 312.75 g/mol, XLogP of 2.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline is sourced from PubChem (CID 11289942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).