12-(4-tert-butylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline

C26H25F3N2 — CID 66800982

IUPAC12-(4-tert-butylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline
SMILESCC(C)(C)C1CC=C(c2c3ccccc3n3c(C(F)(F)F)nc4ccccc4c23)CC1
InChIInChI=1S/C26H25F3N2/c1-25(2,3)17-14-12-16(13-15-17)22-19-9-5-7-11-21(19)31-23(22)18-8-4-6-10-20(18)30-24(31)26(27,28)29/h4-12,17H,13-15H2,1-3H3
InChIKeyRXTVNBWHBMWLLJ-UHFFFAOYSA-N
MW422.49 g/mol
LogP7.89
Rot. Bonds1

About 12-(4-tert-butylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline

12-(4-tert-butylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline (PubChem CID 66800982) has the molecular formula C26H25F3N2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 12-(4-tert-butylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline.

Molecular Properties

Compound Name12-(4-tert-butylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline
PubChem CID66800982
Molecular FormulaC26H25F3N2
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name12-(4-tert-butylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline
SMILESCC(C)(C)C1CC=C(c2c3ccccc3n3c(C(F)(F)F)nc4ccccc4c23)CC1
InChIInChI=1S/C26H25F3N2/c1-25(2,3)17-14-12-16(13-15-17)22-19-9-5-7-11-21(19)31-23(22)18-8-4-6-10-20(18)30-24(31)26(27,28)29/h4-12,17H,13-15H2,1-3H3
InChIKeyRXTVNBWHBMWLLJ-UHFFFAOYSA-N
XLogP7.89
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12-(4-tert-butylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline?
The IUPAC name of 12-(4-tert-butylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline (CID 66800982) is 12-(4-tert-butylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline.
What is the SMILES notation for 12-(4-tert-butylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline?
The canonical SMILES for 12-(4-tert-butylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline is CC(C)(C)C1CC=C(c2c3ccccc3n3c(C(F)(F)F)nc4ccccc4c23)CC1.
What is the InChIKey of 12-(4-tert-butylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline?
The InChIKey is RXTVNBWHBMWLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2/c1-25(2,3)17-14-12-16(13-15-17)22-19-9-5-7-11-21(19)31-23(22)18-8-4-6-10-20(18)30-24(31)26(27,28)29/h4-12,17H,13-15H2,1-3H3.
What are the key properties of 12-(4-tert-butylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline?
12-(4-tert-butylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline has a molecular weight of 422.49 g/mol, XLogP of 7.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-tert-butylcyclohexen-1-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline is sourced from PubChem (CID 66800982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).