4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline

C10H6ClF3N2O — CID 34176280

IUPAC4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline
SMILESCOc1cccc2c(Cl)nc(C(F)(F)F)nc12
InChIInChI=1S/C10H6ClF3N2O/c1-17-6-4-2-3-5-7(6)15-9(10(12,13)14)16-8(5)11/h2-4H,1H3
InChIKeyDTLIPYWPHTVXDJ-UHFFFAOYSA-N
MW262.62 g/mol
LogP3.31
Rot. Bonds1

About 4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline

4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline (PubChem CID 34176280) has the molecular formula C10H6ClF3N2O and a molecular weight of 262.62 g/mol. Its IUPAC name is 4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline
PubChem CID34176280
Molecular FormulaC10H6ClF3N2O
Molecular Weight262.62 g/mol
Exact Mass262.01
IUPAC Name4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline
SMILESCOc1cccc2c(Cl)nc(C(F)(F)F)nc12
InChIInChI=1S/C10H6ClF3N2O/c1-17-6-4-2-3-5-7(6)15-9(10(12,13)14)16-8(5)11/h2-4H,1H3
InChIKeyDTLIPYWPHTVXDJ-UHFFFAOYSA-N
XLogP3.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline?
The IUPAC name of 4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline (CID 34176280) is 4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline is COc1cccc2c(Cl)nc(C(F)(F)F)nc12.
What is the InChIKey of 4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline?
The InChIKey is DTLIPYWPHTVXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O/c1-17-6-4-2-3-5-7(6)15-9(10(12,13)14)16-8(5)11/h2-4H,1H3.
What are the key properties of 4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline?
4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline has a molecular weight of 262.62 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 34176280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).