4-chloro-8-(3-chloropropoxy)quinazoline

C11H10Cl2N2O — CID 133080899

IUPAC4-chloro-8-(3-chloropropoxy)quinazoline
SMILESClCCCOc1cccc2c(Cl)ncnc12
InChIInChI=1S/C11H10Cl2N2O/c12-5-2-6-16-9-4-1-3-8-10(9)14-7-15-11(8)13/h1,3-4,7H,2,5-6H2
InChIKeyXNHRDDUTBZWYHM-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.29
Rot. Bonds4

About 4-chloro-8-(3-chloropropoxy)quinazoline

4-chloro-8-(3-chloropropoxy)quinazoline (PubChem CID 133080899) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 4-chloro-8-(3-chloropropoxy)quinazoline.

Molecular Properties

Compound Name4-chloro-8-(3-chloropropoxy)quinazoline
PubChem CID133080899
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name4-chloro-8-(3-chloropropoxy)quinazoline
SMILESClCCCOc1cccc2c(Cl)ncnc12
InChIInChI=1S/C11H10Cl2N2O/c12-5-2-6-16-9-4-1-3-8-10(9)14-7-15-11(8)13/h1,3-4,7H,2,5-6H2
InChIKeyXNHRDDUTBZWYHM-UHFFFAOYSA-N
XLogP3.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-(3-chloropropoxy)quinazoline?
The IUPAC name of 4-chloro-8-(3-chloropropoxy)quinazoline (CID 133080899) is 4-chloro-8-(3-chloropropoxy)quinazoline.
What is the SMILES notation for 4-chloro-8-(3-chloropropoxy)quinazoline?
The canonical SMILES for 4-chloro-8-(3-chloropropoxy)quinazoline is ClCCCOc1cccc2c(Cl)ncnc12.
What is the InChIKey of 4-chloro-8-(3-chloropropoxy)quinazoline?
The InChIKey is XNHRDDUTBZWYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c12-5-2-6-16-9-4-1-3-8-10(9)14-7-15-11(8)13/h1,3-4,7H,2,5-6H2.
What are the key properties of 4-chloro-8-(3-chloropropoxy)quinazoline?
4-chloro-8-(3-chloropropoxy)quinazoline has a molecular weight of 257.12 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-(3-chloropropoxy)quinazoline is sourced from PubChem (CID 133080899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).