(E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one

C25H15F3N2O — CID 12015039

IUPAC(E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1c2ccccc2n2c(C(F)(F)F)nc3ccccc3c12
InChIInChI=1S/C25H15F3N2O/c26-25(27,28)24-29-19-12-6-4-10-17(19)23-22(18-11-5-7-13-20(18)30(23)24)21(31)15-14-16-8-2-1-3-9-16/h1-15H/b15-14+
InChIKeyKRAKEECBTZZHCB-CCEZHUSRSA-N
MW416.40 g/mol
LogP6.56
Rot. Bonds3

About (E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one

(E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one (PubChem CID 12015039) has the molecular formula C25H15F3N2O and a molecular weight of 416.40 g/mol. Its IUPAC name is (E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one
PubChem CID12015039
Molecular FormulaC25H15F3N2O
Molecular Weight416.40 g/mol
Exact Mass416.11
IUPAC Name(E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1c2ccccc2n2c(C(F)(F)F)nc3ccccc3c12
InChIInChI=1S/C25H15F3N2O/c26-25(27,28)24-29-19-12-6-4-10-17(19)23-22(18-11-5-7-13-20(18)30(23)24)21(31)15-14-16-8-2-1-3-9-16/h1-15H/b15-14+
InChIKeyKRAKEECBTZZHCB-CCEZHUSRSA-N
XLogP6.56
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.40
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-Aminoquinazolin-7-yl)-2,3,6,6-tetramethyl-5,7-dihydroindol-4-one
CID 25063093
1-[4-(Benzylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylindole-4-carboxamide
CID 73052878
3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one
CID 2377208
1-(4-Aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 25063092
Brl-54504AX
CID 9903796
11-amino-2-ethyl-6-methyl-3,4-dihydro-2H-indolo[2,3-b]quinolin-1-one
CID 44328522
3,3,12-trimethyl-3,4-dihydrobenzimidazo[2,1-b]quinazolin-1(2H)-one
CID 666644
2,12-Diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaene-20,21-dione
CID 127042966
Phenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone
CID 162405538
(9-Pyrimidin-2-ylcarbazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 168276781
(4-Fluorophenyl)-(9-pyrimidin-2-ylcarbazol-1-yl)methanone
CID 168292927
(4-Iodophenyl)-(9-pyrimidin-2-ylcarbazol-1-yl)methanone
CID 168293584

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one (CID 12015039) is (E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one is O=C(/C=C/c1ccccc1)c1c2ccccc2n2c(C(F)(F)F)nc3ccccc3c12.
What is the InChIKey of (E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one?
The InChIKey is KRAKEECBTZZHCB-CCEZHUSRSA-N. The full InChI is InChI=1S/C25H15F3N2O/c26-25(27,28)24-29-19-12-6-4-10-17(19)23-22(18-11-5-7-13-20(18)30(23)24)21(31)15-14-16-8-2-1-3-9-16/h1-15H/b15-14+.
What are the key properties of (E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one?
(E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one has a molecular weight of 416.40 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one is sourced from PubChem (CID 12015039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).