2-chloro-4-(2-methoxyethylsulfanyl)quinazoline

C11H11ClN2OS — CID 62476840

IUPAC2-chloro-4-(2-methoxyethylsulfanyl)quinazoline
SMILESCOCCSc1nc(Cl)nc2ccccc12
InChIInChI=1S/C11H11ClN2OS/c1-15-6-7-16-10-8-4-2-3-5-9(8)13-11(12)14-10/h2-5H,6-7H2,1H3
InChIKeyBZEGKTQWXSWVRE-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.02
Rot. Bonds4

About 2-chloro-4-(2-methoxyethylsulfanyl)quinazoline

2-chloro-4-(2-methoxyethylsulfanyl)quinazoline (PubChem CID 62476840) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-chloro-4-(2-methoxyethylsulfanyl)quinazoline.

Molecular Properties

Compound Name2-chloro-4-(2-methoxyethylsulfanyl)quinazoline
PubChem CID62476840
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name2-chloro-4-(2-methoxyethylsulfanyl)quinazoline
SMILESCOCCSc1nc(Cl)nc2ccccc12
InChIInChI=1S/C11H11ClN2OS/c1-15-6-7-16-10-8-4-2-3-5-9(8)13-11(12)14-10/h2-5H,6-7H2,1H3
InChIKeyBZEGKTQWXSWVRE-UHFFFAOYSA-N
XLogP3.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methoxyethylsulfanyl)quinazoline?
The IUPAC name of 2-chloro-4-(2-methoxyethylsulfanyl)quinazoline (CID 62476840) is 2-chloro-4-(2-methoxyethylsulfanyl)quinazoline.
What is the SMILES notation for 2-chloro-4-(2-methoxyethylsulfanyl)quinazoline?
The canonical SMILES for 2-chloro-4-(2-methoxyethylsulfanyl)quinazoline is COCCSc1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-4-(2-methoxyethylsulfanyl)quinazoline?
The InChIKey is BZEGKTQWXSWVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-15-6-7-16-10-8-4-2-3-5-9(8)13-11(12)14-10/h2-5H,6-7H2,1H3.
What are the key properties of 2-chloro-4-(2-methoxyethylsulfanyl)quinazoline?
2-chloro-4-(2-methoxyethylsulfanyl)quinazoline has a molecular weight of 254.74 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methoxyethylsulfanyl)quinazoline is sourced from PubChem (CID 62476840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).