2,9-bis(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

C18H10F6N2O — CID 90448537

IUPAC2,9-bis(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
SMILESO=C1Cc2c([nH]c3ccc(C(F)(F)F)cc23)-c2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C18H10F6N2O/c19-17(20,21)8-1-3-13-10(5-8)11-7-15(27)25-14-4-2-9(18(22,23)24)6-12(14)16(11)26-13/h1-6,26H,7H2,(H,25,27)
InChIKeyGPDOWQROIWAXAU-UHFFFAOYSA-N
MW384.28 g/mol
LogP5.37
Rot. Bonds

About 2,9-bis(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

2,9-bis(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one (PubChem CID 90448537) has the molecular formula C18H10F6N2O and a molecular weight of 384.28 g/mol. Its IUPAC name is 2,9-bis(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name2,9-bis(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
PubChem CID90448537
Molecular FormulaC18H10F6N2O
Molecular Weight384.28 g/mol
Exact Mass384.07
IUPAC Name2,9-bis(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
SMILESO=C1Cc2c([nH]c3ccc(C(F)(F)F)cc23)-c2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C18H10F6N2O/c19-17(20,21)8-1-3-13-10(5-8)11-7-15(27)25-14-4-2-9(18(22,23)24)6-12(14)16(11)26-13/h1-6,26H,7H2,(H,25,27)
InChIKeyGPDOWQROIWAXAU-UHFFFAOYSA-N
XLogP5.37
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.28
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-3-[6-oxo-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-2-yl]prop-2-enenitrile
CID 90448499
2-[(E)-3-methylperoxyprop-1-enyl]-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
CID 59085515
(E)-3-[6-oxo-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-3-yl]prop-2-enenitrile
CID 11326076
9-tert-butyl-2-(2-phenylethynyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
CID 24778330
ethane;(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-9-(trifluoromethyl)-1,6-dihydroazepino[4,5-b]indol-2-one
CID 144710704
(E)-N-benzyl-3-(9-tert-butyl-6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-2-yl)prop-2-enamide
CID 71699298
14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one
CID 24828984
6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide
CID 123870107
hexyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate
CID 44818788
4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one
CID 53404079
8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 18690864
3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261419

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The IUPAC name of 2,9-bis(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one (CID 90448537) is 2,9-bis(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one.
What is the SMILES notation for 2,9-bis(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The canonical SMILES for 2,9-bis(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one is O=C1Cc2c([nH]c3ccc(C(F)(F)F)cc23)-c2cc(C(F)(F)F)ccc2N1.
What is the InChIKey of 2,9-bis(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The InChIKey is GPDOWQROIWAXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N2O/c19-17(20,21)8-1-3-13-10(5-8)11-7-15(27)25-14-4-2-9(18(22,23)24)6-12(14)16(11)26-13/h1-6,26H,7H2,(H,25,27).
What are the key properties of 2,9-bis(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
2,9-bis(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one has a molecular weight of 384.28 g/mol, XLogP of 5.37, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one is sourced from PubChem (CID 90448537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).