2,4-dichloro-6,7-dimethoxyquinazoline

C10H8Cl2N2O2 — CID 520327

IUPAC2,4-dichloro-6,7-dimethoxyquinazoline
SMILESCOc1cc2nc(Cl)nc(Cl)c2cc1OC
InChIInChI=1S/C10H8Cl2N2O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(12)14-9(5)11/h3-4H,1-2H3
InChIKeyDGHKCBSVAZXEPP-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.95
Rot. Bonds2

About 2,4-dichloro-6,7-dimethoxyquinazoline

2,4-dichloro-6,7-dimethoxyquinazoline (PubChem CID 520327) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is 2,4-dichloro-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name2,4-dichloro-6,7-dimethoxyquinazoline
PubChem CID520327
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC Name2,4-dichloro-6,7-dimethoxyquinazoline
SMILESCOc1cc2nc(Cl)nc(Cl)c2cc1OC
InChIInChI=1S/C10H8Cl2N2O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(12)14-9(5)11/h3-4H,1-2H3
InChIKeyDGHKCBSVAZXEPP-UHFFFAOYSA-N
XLogP2.95
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6,7-dimethoxyquinazoline?
The IUPAC name of 2,4-dichloro-6,7-dimethoxyquinazoline (CID 520327) is 2,4-dichloro-6,7-dimethoxyquinazoline.
What is the SMILES notation for 2,4-dichloro-6,7-dimethoxyquinazoline?
The canonical SMILES for 2,4-dichloro-6,7-dimethoxyquinazoline is COc1cc2nc(Cl)nc(Cl)c2cc1OC.
What is the InChIKey of 2,4-dichloro-6,7-dimethoxyquinazoline?
The InChIKey is DGHKCBSVAZXEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(12)14-9(5)11/h3-4H,1-2H3.
What are the key properties of 2,4-dichloro-6,7-dimethoxyquinazoline?
2,4-dichloro-6,7-dimethoxyquinazoline has a molecular weight of 259.09 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6,7-dimethoxyquinazoline is sourced from PubChem (CID 520327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).