phenyl-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone

C23H13F3N2O — CID 12015038

IUPACphenyl-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone
SMILESO=C(c1ccccc1)c1c2ccccc2n2c(C(F)(F)F)nc3ccccc3c12
InChIInChI=1S/C23H13F3N2O/c24-23(25,26)22-27-17-12-6-4-10-15(17)20-19(21(29)14-8-2-1-3-9-14)16-11-5-7-13-18(16)28(20)22/h1-13H
InChIKeyGUAJQKXWIJJEBV-UHFFFAOYSA-N
MW390.36 g/mol
LogP5.89
Rot. Bonds2

About phenyl-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone

phenyl-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone (PubChem CID 12015038) has the molecular formula C23H13F3N2O and a molecular weight of 390.36 g/mol. Its IUPAC name is phenyl-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone.

Molecular Properties

Compound Namephenyl-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone
PubChem CID12015038
Molecular FormulaC23H13F3N2O
Molecular Weight390.36 g/mol
Exact Mass390.10
IUPAC Namephenyl-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone
SMILESO=C(c1ccccc1)c1c2ccccc2n2c(C(F)(F)F)nc3ccccc3c12
InChIInChI=1S/C23H13F3N2O/c24-23(25,26)22-27-17-12-6-4-10-15(17)20-19(21(29)14-8-2-1-3-9-14)16-11-5-7-13-18(16)28(20)22/h1-13H
InChIKeyGUAJQKXWIJJEBV-UHFFFAOYSA-N
XLogP5.89
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.36
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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 phenyl-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone?
The IUPAC name of phenyl-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone (CID 12015038) is phenyl-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone.
What is the SMILES notation for phenyl-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone?
The canonical SMILES for phenyl-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone is O=C(c1ccccc1)c1c2ccccc2n2c(C(F)(F)F)nc3ccccc3c12.
What is the InChIKey of phenyl-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone?
The InChIKey is GUAJQKXWIJJEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F3N2O/c24-23(25,26)22-27-17-12-6-4-10-15(17)20-19(21(29)14-8-2-1-3-9-14)16-11-5-7-13-18(16)28(20)22/h1-13H.
What are the key properties of phenyl-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone?
phenyl-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone has a molecular weight of 390.36 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone is sourced from PubChem (CID 12015038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).