11-chloro-2,3-dimethoxy-8-(trifluoromethyl)-8H-quinazolino[4,3-b]quinazoline

C18H13ClF3N3O2 — CID 54670061

IUPAC11-chloro-2,3-dimethoxy-8-(trifluoromethyl)-8H-quinazolino[4,3-b]quinazoline
SMILESCOc1cc2c(cc1OC)C1=Nc3cc(Cl)ccc3C(C(F)(F)F)N1C=N2
InChIInChI=1S/C18H13ClF3N3O2/c1-26-14-6-11-12(7-15(14)27-2)23-8-25-16(18(20,21)22)10-4-3-9(19)5-13(10)24-17(11)25/h3-8,16H,1-2H3
InChIKeyKULSPOMTANYZCP-UHFFFAOYSA-N
MW395.77 g/mol
LogP5.03
Rot. Bonds2

About 11-chloro-2,3-dimethoxy-8-(trifluoromethyl)-8H-quinazolino[4,3-b]quinazoline

11-chloro-2,3-dimethoxy-8-(trifluoromethyl)-8H-quinazolino[4,3-b]quinazoline (PubChem CID 54670061) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is 11-chloro-2,3-dimethoxy-8-(trifluoromethyl)-8H-quinazolino[4,3-b]quinazoline.

Molecular Properties

Compound Name11-chloro-2,3-dimethoxy-8-(trifluoromethyl)-8H-quinazolino[4,3-b]quinazoline
PubChem CID54670061
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC Name11-chloro-2,3-dimethoxy-8-(trifluoromethyl)-8H-quinazolino[4,3-b]quinazoline
SMILESCOc1cc2c(cc1OC)C1=Nc3cc(Cl)ccc3C(C(F)(F)F)N1C=N2
InChIInChI=1S/C18H13ClF3N3O2/c1-26-14-6-11-12(7-15(14)27-2)23-8-25-16(18(20,21)22)10-4-3-9(19)5-13(10)24-17(11)25/h3-8,16H,1-2H3
InChIKeyKULSPOMTANYZCP-UHFFFAOYSA-N
XLogP5.03
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.77
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-2,3-dimethoxy-8-(trifluoromethyl)-8H-quinazolino[4,3-b]quinazoline?
The IUPAC name of 11-chloro-2,3-dimethoxy-8-(trifluoromethyl)-8H-quinazolino[4,3-b]quinazoline (CID 54670061) is 11-chloro-2,3-dimethoxy-8-(trifluoromethyl)-8H-quinazolino[4,3-b]quinazoline.
What is the SMILES notation for 11-chloro-2,3-dimethoxy-8-(trifluoromethyl)-8H-quinazolino[4,3-b]quinazoline?
The canonical SMILES for 11-chloro-2,3-dimethoxy-8-(trifluoromethyl)-8H-quinazolino[4,3-b]quinazoline is COc1cc2c(cc1OC)C1=Nc3cc(Cl)ccc3C(C(F)(F)F)N1C=N2.
What is the InChIKey of 11-chloro-2,3-dimethoxy-8-(trifluoromethyl)-8H-quinazolino[4,3-b]quinazoline?
The InChIKey is KULSPOMTANYZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c1-26-14-6-11-12(7-15(14)27-2)23-8-25-16(18(20,21)22)10-4-3-9(19)5-13(10)24-17(11)25/h3-8,16H,1-2H3.
What are the key properties of 11-chloro-2,3-dimethoxy-8-(trifluoromethyl)-8H-quinazolino[4,3-b]quinazoline?
11-chloro-2,3-dimethoxy-8-(trifluoromethyl)-8H-quinazolino[4,3-b]quinazoline has a molecular weight of 395.77 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-2,3-dimethoxy-8-(trifluoromethyl)-8H-quinazolino[4,3-b]quinazoline is sourced from PubChem (CID 54670061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).