2,12-dimethyl-6-(trifluoromethyl)indolo[1,2-c]quinazoline

C18H13F3N2 — CID 162409387

IUPAC2,12-dimethyl-6-(trifluoromethyl)indolo[1,2-c]quinazoline
SMILESCc1ccc2nc(C(F)(F)F)n3c4ccccc4c(C)c3c2c1
InChIInChI=1S/C18H13F3N2/c1-10-7-8-14-13(9-10)16-11(2)12-5-3-4-6-15(12)23(16)17(22-14)18(19,20)21/h3-9H,1-2H3
InChIKeyCLCBMPHGHMXVMT-UHFFFAOYSA-N
MW314.31 g/mol
LogP5.28
Rot. Bonds

About 2,12-dimethyl-6-(trifluoromethyl)indolo[1,2-c]quinazoline

2,12-dimethyl-6-(trifluoromethyl)indolo[1,2-c]quinazoline (PubChem CID 162409387) has the molecular formula C18H13F3N2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 2,12-dimethyl-6-(trifluoromethyl)indolo[1,2-c]quinazoline.

Molecular Properties

Compound Name2,12-dimethyl-6-(trifluoromethyl)indolo[1,2-c]quinazoline
PubChem CID162409387
Molecular FormulaC18H13F3N2
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC Name2,12-dimethyl-6-(trifluoromethyl)indolo[1,2-c]quinazoline
SMILESCc1ccc2nc(C(F)(F)F)n3c4ccccc4c(C)c3c2c1
InChIInChI=1S/C18H13F3N2/c1-10-7-8-14-13(9-10)16-11(2)12-5-3-4-6-15(12)23(16)17(22-14)18(19,20)21/h3-9H,1-2H3
InChIKeyCLCBMPHGHMXVMT-UHFFFAOYSA-N
XLogP5.28
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.31
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,12-dimethyl-6-(trifluoromethyl)indolo[1,2-c]quinazoline?
The IUPAC name of 2,12-dimethyl-6-(trifluoromethyl)indolo[1,2-c]quinazoline (CID 162409387) is 2,12-dimethyl-6-(trifluoromethyl)indolo[1,2-c]quinazoline.
What is the SMILES notation for 2,12-dimethyl-6-(trifluoromethyl)indolo[1,2-c]quinazoline?
The canonical SMILES for 2,12-dimethyl-6-(trifluoromethyl)indolo[1,2-c]quinazoline is Cc1ccc2nc(C(F)(F)F)n3c4ccccc4c(C)c3c2c1.
What is the InChIKey of 2,12-dimethyl-6-(trifluoromethyl)indolo[1,2-c]quinazoline?
The InChIKey is CLCBMPHGHMXVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2/c1-10-7-8-14-13(9-10)16-11(2)12-5-3-4-6-15(12)23(16)17(22-14)18(19,20)21/h3-9H,1-2H3.
What are the key properties of 2,12-dimethyl-6-(trifluoromethyl)indolo[1,2-c]quinazoline?
2,12-dimethyl-6-(trifluoromethyl)indolo[1,2-c]quinazoline has a molecular weight of 314.31 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,12-dimethyl-6-(trifluoromethyl)indolo[1,2-c]quinazoline is sourced from PubChem (CID 162409387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).