11-chloro-2-methoxy-3-(trifluoromethyl)-8H-quinazolino[3,2-c]quinazoline

C17H11ClF3N3O — CID 54669973

IUPAC11-chloro-2-methoxy-3-(trifluoromethyl)-8H-quinazolino[3,2-c]quinazoline
SMILESCOc1cc2c(cc1C(F)(F)F)N=CN1Cc3ccc(Cl)cc3N=C21
InChIInChI=1S/C17H11ClF3N3O/c1-25-15-5-11-14(6-12(15)17(19,20)21)22-8-24-7-9-2-3-10(18)4-13(9)23-16(11)24/h2-6,8H,7H2,1H3
InChIKeyMKTQBRHPUAKGEG-UHFFFAOYSA-N
MW365.74 g/mol
LogP4.93
Rot. Bonds1

About 11-chloro-2-methoxy-3-(trifluoromethyl)-8H-quinazolino[3,2-c]quinazoline

11-chloro-2-methoxy-3-(trifluoromethyl)-8H-quinazolino[3,2-c]quinazoline (PubChem CID 54669973) has the molecular formula C17H11ClF3N3O and a molecular weight of 365.74 g/mol. Its IUPAC name is 11-chloro-2-methoxy-3-(trifluoromethyl)-8H-quinazolino[3,2-c]quinazoline.

Molecular Properties

Compound Name11-chloro-2-methoxy-3-(trifluoromethyl)-8H-quinazolino[3,2-c]quinazoline
PubChem CID54669973
Molecular FormulaC17H11ClF3N3O
Molecular Weight365.74 g/mol
Exact Mass365.05
IUPAC Name11-chloro-2-methoxy-3-(trifluoromethyl)-8H-quinazolino[3,2-c]quinazoline
SMILESCOc1cc2c(cc1C(F)(F)F)N=CN1Cc3ccc(Cl)cc3N=C21
InChIInChI=1S/C17H11ClF3N3O/c1-25-15-5-11-14(6-12(15)17(19,20)21)22-8-24-7-9-2-3-10(18)4-13(9)23-16(11)24/h2-6,8H,7H2,1H3
InChIKeyMKTQBRHPUAKGEG-UHFFFAOYSA-N
XLogP4.93
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.74
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 9800254
11-chloro-2,3-dimethoxy-8-(trifluoromethyl)-8H-quinazolino[4,3-b]quinazoline
CID 54670061
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide
CID 58214452
N'-[4-(3-chloro-5-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide
CID 68588974
N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide
CID 68589190
N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide
CID 68589243
N'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide
CID 68589299
N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide
CID 68589332
N'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide
CID 68589493
N'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide
CID 68589616
N-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N'-ethyl-N-methylmethanimidamide
CID 69039484
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propylmethanimidamide
CID 87508039

Frequently Asked Questions

What is the IUPAC name of 11-chloro-2-methoxy-3-(trifluoromethyl)-8H-quinazolino[3,2-c]quinazoline?
The IUPAC name of 11-chloro-2-methoxy-3-(trifluoromethyl)-8H-quinazolino[3,2-c]quinazoline (CID 54669973) is 11-chloro-2-methoxy-3-(trifluoromethyl)-8H-quinazolino[3,2-c]quinazoline.
What is the SMILES notation for 11-chloro-2-methoxy-3-(trifluoromethyl)-8H-quinazolino[3,2-c]quinazoline?
The canonical SMILES for 11-chloro-2-methoxy-3-(trifluoromethyl)-8H-quinazolino[3,2-c]quinazoline is COc1cc2c(cc1C(F)(F)F)N=CN1Cc3ccc(Cl)cc3N=C21.
What is the InChIKey of 11-chloro-2-methoxy-3-(trifluoromethyl)-8H-quinazolino[3,2-c]quinazoline?
The InChIKey is MKTQBRHPUAKGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O/c1-25-15-5-11-14(6-12(15)17(19,20)21)22-8-24-7-9-2-3-10(18)4-13(9)23-16(11)24/h2-6,8H,7H2,1H3.
What are the key properties of 11-chloro-2-methoxy-3-(trifluoromethyl)-8H-quinazolino[3,2-c]quinazoline?
11-chloro-2-methoxy-3-(trifluoromethyl)-8H-quinazolino[3,2-c]quinazoline has a molecular weight of 365.74 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-2-methoxy-3-(trifluoromethyl)-8H-quinazolino[3,2-c]quinazoline is sourced from PubChem (CID 54669973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).